PRODUCTS

BENZYL CHLORIDE

Uses and reactions
Industrially, benzyl chloride is the precursor to benzyl esters, which are used as plasticizers, flavorants, and perfumes. Phenylacetic acid, a precursor to pharmaceuticals, is produced from benzyl cyanide, which in turn is generated by treatment of benzyl chloride with sodium cyanide. Quaternary ammonium salts, used as surfactants, are readily formed by alkylation of tertiary amines with benzyl chloride.

CAS No.: 100-44-7
EC No.: 202-853-6

Synonyms:
BENZYL CHLORIDE; (Chloromethyl)benzene; 100-44-7; Benzylchloride; Chloromethylbenzene; alpha-Chlorotoluene; Benzylchlorid; Chlorophenylmethane; Benzene, (chloromethyl)-;Tolyl chloride;Chlorure de benzyle;a-Chlorotoluene;Benzene, chloromethyl-;alpha-Chlortoluol;RCRA waste number P028;NCI-C06360;CHLOROTOLUENE;Toluene, ar-chloro-;Benzile (cloruro di);Benzyle (chlorure de);Benzylchlorid [German];benzyl-chloride;Toluene, alpha-chloro-;alpha-Chlortoluol [German];NSC 8043;CCRIS 79;omega-Chlorotoluene;chloromethyl-benzene;Chlorure de benzyle [French];.alpha.-Chlortoluol;UNII-83H19HW7K6;HSDB 368;Oxsol 10;.alpha.-Chlorotoluene;.omega.-Chlorotoluene;Benzile (cloruro di) [Italian];Benzyle (chlorure de) [French];(Chloromethyl)-benzene;EINECS 202-853-6;UN1738;RCRA waste no. P028;Toluene, .alpha.-chloro-;AI3-15518;CHEBI:615597;KCXMKQUNVWSEMD-UHFFFAOYSA-N;EINECS 246-698-2;SBB040645;BRN 0471308;Benzyl chloride-(ring-13C6);benzyi chloride;alpha-chloro-toluene;Benzile(cloruro di);Phenylmethyl chlorid;1-chloromethylbenzene;Benzyle(chlorure de);(chloromethyl)-benzen;1-(chloromethyl)benzene;ACMC-1BSIO; AC1L1OWP;C6H5CH2Cl;DSSTox_CID_153;TOLUENE,ALPHA-CHLORO;AC1Q3U1S;AC1Q3U9J;SCHEMBL7413;WLN: G1R;akos bbs-00003953;DSSTox_RID_75405;DSSTox_GSID_20153;Benzyl chloride, unstabilized;METHYL, CHLOROPHENYL-;KSC163A7T;Benzene, (chloromethyl)- (VA;CHEMBL498878;Benzyl chloride, AR, >=99%;DTXSID0020153;NSC8043;MolPort-000-871-728;83H19HW7K6;NSC-8043;ZINC1586371;Tox21_200266;ANW-42399;LS-305;MFCD00000889;ZINC01586371;AKOS000118784;Benzyl chloride [UN1738] [Poison];MCULE-5056501597;RP19719;TRA0066090;UN 1738;Benzyl chloride [UN1738] [Poison];NCGC00090818-01;NCGC00090818-02;NCGC00257820-01;AJ-27548;AK110173;BC210975;CAS-100-44-7;CJ-05522;CJ-25238;OR000552;OR252253;OR252254;OR252255;OR259267;SC-19574;Benzyl chloride, 99%, stabilized 500g;Benzyl chloride, purum, >=99.0% (GC);DB-058434;KB-200535;LS-154029;RT-000110;B0412;Benzyl chloride, puriss., >=99.5% (GC);FT-0622815;ST24026336;ST50214092;C19167;29457-EP2272817A1;29457-EP2277878A1;29457-EP2284157A1;29457-EP2298746A1;29457-EP2305668A1;29457-EP2308875A1;29457-EP2311825A1;29457-EP2311842A2;29457-EP2371831A1;41092-EP2298734A2;41092-EP2305668A1;41092-EP2308873A1;41092-EP2311831A1;108795-EP2284166A1;108795-EP2298762A2;108795-EP2298769A1;4-05-00-00809 (Beilstein Handbook Reference);I01-4511;Q-200697;F2190-0251;Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive];Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive];InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H;Benzyl chloride, ReagentPlus(R), 99%, contains <=1% propylene oxide as stabilizer;27987-13-9;9CL;alpha-chlorotoluene;benzyl chloride;benzyl chloride, 14C-labeled;Benzyl chloride;(Chloromethyl)benzene;Chlormethyl)benzol [German] [ACD/IUPAC Name];(Chloromethyl)benzene [ACD/IUPAC Name];(Chlorométhyl)benzène [French] [ACD/IUPAC Name];100-44-7 [RN];246-698-2 [EINECS];261-790-2 [EINECS];Benzene, (chloromethyl)- [ACD/Index Name];BENZENE, CHLOROMETHYL;Benzyl chloride [Wiki];Chloromethylbenzene [Wiki];toluene, ?-chloro-;CHLOROTOLUENE;(Chloromethyl)benzene; ?-Chlorotoluene;120-51-4 [RN];190-44-7;2,2-bis(4-methylphenyl)-1-cyclopropanecarboxylic acid;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;33712-34-4 [RN];4-05-00-00809 (Beilstein Handbook Reference) [Beilstein];68661-11-0 [RN];82671-06-5 [RN];Benzile (cloruro di);Benzile (cloruro di) [Italian];Benzile(cloruro di);Benzyl benzoate [ACD/IUPAC Name] [Wiki];Benzyl chloride [UN1738] [Poison];BENZYL CHLORIDE-(RING-13C6);Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive];Benzyl-2,3,4,5,6-d5 Chloride;Benzylchlorid;Benzylchlorid [German];benzylchloride [Wiki];benzyl-chloride;Benzyl-d7 Chloride;Benzyle (chlorure de);Benzyle (chlorure de) [French];Benzyle(chlorure de);Benzyl-?,?-d2 chloride;C6H5CH2Cl;Chlorophenylmethane;Chlorure de benzyle;Chlorure de benzyle [French];EINECS 202-853-6;EINECS 246-698-2;InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H;Phenylmethyl Chloride;ST5214092;Toluene, ar-chloro-;Toluene, ?-chloro-;TOLUENE,?-CHLORO;UN 1738;UNII:83H19HW7K6;UNII-83H19HW7K6;WLN: G1R;XS8925000;Chlorotoluene;Chlorotoluene;Chlorotoluene (Benzylchloride); Chlortoluol; Chlortoluol; Chlortoluol [German]; Chlorotoluene; Benzene, (chloromethyl)-; Toluene, ?-chloro-; ?-Chlorotoluene; ?-Chlorotoluene;(Chloromethyl)benzene; Chlorophenylmethane; C6H5CH2Cl; ?-Chlortoluol;Benzile (cloruro di); Benzylchlorid; Benzyle (chlorure de); Chlorure de benzyle; NCI-C06360; Rcra waste number P028; UN 1738; Phenylmethyl chloride; NSC 8043; Tolyl chloride;Benzene, (chloromethyl)-;Benzyl Chloride;(Chloromethyl)benzene;phenylmethyl chloride;Chlorotoluene;(chloro-deuterio-methyl)-benzene;deuterio-benzyl chloride;Deuterio-benzylchlorid;benzyl chloroacetylcarbamate;benzyl 2-chloroacetylcarbamate;Benzyl-chloracetylcarbamat;Benzylchlorid-7-14C;Benzylchlorid;Benzylchlorid-14C-7;Chlorotoluene;(Chloromethyl)benzene;(Chloromethyl)benzene (IUPAC Name); Alpha-chlorotoluene; (Chloromethyl)-benzene; Chloromethyl-benzene; Chloromethylbenzene; alpha-Chloro-toluene;Bzl-Cl;Benzile;Benzyle;NSC 8043;ai3-15518;C6H5CH2Cl;NCI-C06360;Benzylchlorid;tolylchloride;?-Chlortoluol;Choline chloride Diethylstilbestrol 4-Nitrobenzyl chloride 2-Bromobenzoyl chloride 3,5-Bis(trifluoromethyl)benzoyl chloride Benzoyl chloride BENZOYL-CARBONYL-13C CHLORIDE Benzyl chloride Benzyl Benzyl alcohol Phenylacetone Benzyltriethylammonium chloride Ammonium chloride Benzyl isocyanate Sodium chloride 4-Methylbenzyl chloride BENZAL CHLORIDE 4-(DICYANOMETHYLENE)-2-METHYL-6-(JULOLIDIN-4-YL-VINYL)-4H-PYRAN BENZYL CHLORIDE Building Blocks Aryl C7 100-44-7 A-CHLOROTOLUENE ALPHA-CHLOROTOLUENE AKOS BBS-00003953 Organic Building Blocks Protection and Derivatization Protecting and Derivatizing Reagents Others Synthetic Reagents Halogenated Hydrocarbons Reagents for Oligosaccharide Synthesis (chloromethyl)-benzen (Chloromethyl)benzene (chloromethyl)-Benzene 1-Chloromethylbenzene 1-Chlorome-thylbenzene ai3-15518 alpha-chloro-toluen alpha-Chlortoluol alpha-tolylchloride Benzene, (chloromethyl)- benzene,(chloromethyl)- benzene,chloromethyl- Benzile Benzile(cloruro di) benzile(clorurodi) Benzylchlorid benzylchloride(dot) benzylchloride00 Benzyle Benzyle(chlorure de) benzyle(chlorurede) benzyle(chlorurede)(french) C6H5CH2Cl chloromethylbenzene chloromethyl-benzene Chlorophenylmethane Chlorure de benzyle chloruredebenzyle chloruredebenzyle(french) NCI-C06360 omega-Chlorotoluene Phenylmethyl chloride Phenylmethylchloride Rcra waste number P028 rcrawastenumberp028 Toluene, alpha-chloro- Toluene,?-chloro- tolylchloride ?-Chlortoluol BENZYL HALIDE BENZYL CHLORIDE, REAGENTPLUS, 99% Bzl-Cl Benzyl chloride, pure, 90%;A-CHLOROTOLUENE;ALPHA-CHLOROTOLUENE;BENZENE,(CHLOROMETHYL)-;BENZYL CHLORIDE;(CHLOROMETHYL)BENZENE;CHLOROMETHYLBENZENE;CHLOROPHENYLMETHANE;NCI-C06360;NCI-CO6360;OMEGA-CHLOROTOLUENE;PHENYLMETHYL CHLORIDE;TOLUENE, ALPHA-CHLORO-;TOLYL CHLORIDE;alpha-Chlorotoluene; Benzylchloride anhydrous; Benzylchloride, stabilized;Chloromethyl benzene; chlorophenylmethane; ?-tolyl chloride;Chlorophenylmethane; a-chlorotoluene; DEA Code 8570; Benzene, (chloromethyl)-;Benzyl chloride; Benzene, (chloromethyl)-; Toluene, ?-chloro-; ?-Chlorotoluene; ?-Chlorotoluene; (Chloromethyl)benzene; Chlorophenylmethane; C6H5CH2Cl; a-Chlorotoluene; ?-Chlortoluol; Benzile(cloruro di); Benzylchlorid; Benzyle(chlorure de); Chlorure de benzyle; NCI-C06360; Benzile; Benzyle; Rcra waste number P028; Phenylmethyl chloride; a-Chlortoluol;omega-Chlorotoluene; Chlorophenylmethane; (chloromethyl)Benzene;alpha-Chlorotoluene; tolyl chloride ;Benzyl chloride; benzylchloride; benzil klorür; benzilklorür; chlorophenylmethane; chloro phenyl methane; klorofenilmetan; kloro fenil metan; klorofenil metan;Chlorotoluene; ?-klorotoluen; alfa klorotoluen; alfa kloro toluen; BnCl; chloromethylbenzene; chloro methyl benzene; klorometilbenzen; chloro methylbenzene; kloro metilbenzen;
chloro; methyl; benzene; kloro; metil; benzen;alpha-chlorotoluene;benzyl chloride;benzyl chloride, 14C-labeled;BENZYL CHLORIDE;(Chloromethyl)benzene;100-447;Benzylchloride;Chloromethylbenzene;alpha-Chlorotoluene;Benzene, (chloromethyl)-;Benzylchlorid;Tolyl chloride;Chlorophenylmethane;Chlorure de benzyle;CHLOROTOLUENE;Toluene, ar-chloro-;Benzene, chloromethyl-;benzyl-chloride;chloromethyl-benzene;.alpha.-Chlortoluol;Oxsol 10;.alpha.-Chlorotoluene;.omega.-Chlorotoluene;Benzile (cloruro di);Benzyle (chlorure de);Benzylchlorid [German];Toluene, alpha-chloro-;NSC 8043;RCRA waste no. P028;Toluene, .alpha.-chloro-;alpha-Chlortoluol [German];BENZİL KLORÜR;BENZİLKLORÜR;BENZIL KOLRUR;BENZILKLORUR;BENZYL CHLORIDE;BENZYLCHLORIDE;BENZYL CHLORİDE;BENZYLCHLORİDE;alpha-chlorotoluene; chlorophenylmethane; chloromethylbenzene;omega-Chlorotoluene; Chlorophenylmethane;(chloromethyl)-Benzene; ¥ø-Chlorotoluene; Chlorophenylmethane; Tolyl chloride; a-Chlorotoluene; Benzile(cloruro di); Benzylchlorid; Benzyle(chlorure de); Chlorure de benzyle; Phenylmethyl chloride

BENZYL CHLORIDE

Benzyl chloride
Infobox references
Benzyl chloride, or α-chlorotoluene, is an organic compound with the formula C6H5CH2Cl. This colorless liquid is a reactive organochlorine compound that is a widely used chemical building block.

Preparation
Benzyl chloride is prepared industrially by the gas-phase photochemical reaction of toluene with chlorine:

C6H5CH3 + Cl2 → C6H5CH2Cl + HCl
In this way, approximately 100,000 tonnes are produced annually. The reaction proceeds by the free radical process, involving the intermediacy of free chlorine atoms.Side products of the reaction include benzal chloride and benzotrichloride.

Other methods of production exist, such as the Blanc chloromethylation of benzene. Benzyl chloride was first prepared from treatment of benzyl alcohol with hydrochloric acid.

Benzyl ethers are often derived from benzyl chloride. Benzyl chloride reacts with aqueous sodium hydroxide to give dibenzyl ether. In organic synthesis, benzyl chloride is used to introduce the benzyl protecting group in reaction with alcohols, yielding the corresponding benzyl ether, carboxylic acids, and benzyl ester.

Benzoic acid (C6H5COOH) can be prepared by oxidation of benzyl chloride in the presence of alkaline KMnO4:

C6H5CH2Cl + 2 KOH + 2 [O] → C6H5COOK + KCl + H2O
Benzyl chloride may be used in the synthesis of amphetamine-class drugs, and for this reason, sales of benzyl chloride are monitored as a List II drug precursor chemical by the US Drug Enforcement Administration.

Benzyl chloride also reacts readily with metallic magnesium to produce a Grignard reagent.It is preferable over benzyl bromide for the preparation of this reagent, since the reaction of the bromide with magnesium tends to form the Wurtz coupling product 1,2-diphenylethane.

Safety
Benzyl chloride is an alkylating agent. Indicative of its high reactivity (relative to alkyl chlorides), benzyl chloride reacts with water in a hydrolysis reaction to form benzyl alcohol and hydrochloric acid. In contact with mucous membranes, hydrolysis produces hydrochloric acid. Thus, benzyl chloride is a lachrymator and has been used in chemical warfare. It is also very irritating to the skin.

It is classified as an extremely hazardous substance in the United States as defined in Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act (42 U.S.C. 11002), and is subject to strict reporting requirements by facilities which produce, store, or use it in significant quantities.

See also
Benzyl bromide
Benzyl fluoride
Benzyl iodide
List of highly toxic gases

EC Number: 202-853-6

Benzyl chloride belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical products and as a photographic developer. The acute (short-term) effects of benzyl chloride from inhalation exposure in humans consist of severe irritation of the upper respiratory tract, skin, eyes, and mucous membranes, and lung damage along with pulmonary edema (fluid in lungs). Exposure to high concentrations also causes effects on the central nervous system (CNS). Animal data indicate that long-term exposure to benzyl chloride by gavage (placing it experimentally in the stomachs of mice) increased the incidence of benign and malignant tumors at multiple sites and resulted in a significant increase in thyroid tumors in female rats. EPA has classified benzyl chloride as a Group B2, probable human carcinogen.

Names and Identifiers of Benzyl Chloride
Computed Descriptors of Benzyl Chloride

IUPAC Name of Benzyl Chloride
chloromethylbenzene

Molecular Formula of Benzyl Chloride
C7H7Cl

Experimental Properties of Benzyl Chloride

Physical Description of Benzyl Chloride
BENZYL CHLORIDE is a colorless liquid with an irritating odor. Toxic by inhalation and skin absorption. Flash point 153°F. Slightly soluble in water. Corrosive to metals and tissue. A lachrymator. Density 9.2 lb /gal.

Color of Benzyl Chloride
Colorless to slightly yellow liquid

Odor of Benzyl Chloride
Rather unpleasant, irritating odor

Boiling Point of Benzyl Chloride
354° F at 760 mm Hg

Melting Point of Benzyl Chloride
-54 to -45° F

Flash Point of Benzyl Chloride
153° F

Density of Benzyl Chloride
1.1 at 68° F

Benzyl chloride is an effective electrophile used in organic chemistry for introducing benzyl groups. Benzyl chloride can be used for the benzyl protection of amines and alcohols, however this is more commonly performed with benzyl bromide.

Benzyl chloride, or ?-chlorotoluene, is an organic compound with the formula C6H5CH2Cl. This colourless liquid is a reactive organochlorine compound that is a widely used chemical building block.

Uses
Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical, perfume and flavor products. It is also used as a photographic developer.Benzyl chloride can be used in the manufacture of synthetic tannins and as a gum inhibitor in petrol.Benzyl chloride has been used as an irritant gas in chemical warfare.

Hazard Summary
Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical products and as a photographic developer. The acute (short-term) effects of benzyl chloride from inhalation exposure in humans consist of severe irritation of the upper respiratory tract, skin, eyes, and mucous membranes, and lung damage along with pulmonary edema (fluid in lungs). Exposure to high concentrations also causes effects on the central nervous system (CNS). Animal data indicate that longterm exposure to benzyl chloride by gavage (placing it experimentally in the stomachs of mice) increased the incidence of benign and malignant tumors at multiple sites and resulted in a significant increase in thyroid tumors in female rats. EPA has classified benzyl chloride as a Group B2, probable human
carcinogen.

Chemical Properties of Benzyl Chloride
Colorless to yellow liquid

Uses of Benzyl Chloride
An intermediate in the preparation of phenylacetic acid (precursor to phamaceuticals). Also a precursor molecule to benzyl esters which are used as plasticizer, flavorants, and perfumes.

Definition of Benzyl Chloride
ChEBI: A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine.

General Description of Benzyl Chloride
A colorless liquid with an irritating odor. Toxic by inhalation and skin absorption. Flash point 153°F. Slightly soluble in water. Corrosive to metals and tissue. A lachrymator. Density 9.2 lb /gal.

Description of Benzyl Chloride

Benzyl chloride is a colorless to slightly yellow liquid with a pungent, aromatic odor. It is soluble in alcohol, ether, and chloroform, and is insoluble in water. It is very refractive. Benzyl chloride is combustible and is corrosive to metal. It reacts with steam and oxidizing agents and is slowly hydrolyzed by water (HSDB, 1991). Benzyl chloride also rapidly decomposes when heated in the presence of iron

Benzyl chloride is an industrial intermediate chemical used in the production of a variety of materials. The primary purpose of benzyl chloride is to add benzyl functionality to different molecules to change their chemical properties. This is used in the production of plasticizers, sanitizing agents and oil extraction materials.

GENERAL DESCRIPTION AND APPLICATIONS of Benzyl Chloride

Toluene (methylbenzene) has a methyl group attached to a benzene ring. alpha-Chlorinated toluenes are organic compounds which one of the hydrogen atoms in the methyl group has been substituted by a chlorine atom instead of the substitution in the benzene ring . All three hydrogens in the methyl group can be replaced by chlorine atoms thtough the free radical chain reaction. These reactions are catalysed by light and sometimes called photochemical reaction. They reacts vigorously with strong oxidants and water to produce hydrogen chloride and attacks many metals except nickel and lead in the presence of water. Chloromethylated aromatic compounds are used as monomer for a copolymerization and as intermediate in organic synthesis for the introduction of the benzyl protecting group for alcohols and carboxylic acids such as benzaldehyde and cinnamic acid. Benzyl chloride, (monochloromethyl)benzene, is a clear to yellowish liquid; melts at -39 C; boils at 179 C. Its oxidation reaction produces benzaldehyde.Benzyl Chloride is widely used as an intermediate for manufacturing organic compounds including benzyl alcohol, benzyl cyanide and other benzyl compounds. It is used in fuel as a gum inhibitor. Benzal chloride, (dichloromethyl)benzene, is a clear to yellowish liquid; melts at -17 C; boils at 206 C. Its oxidation reaction with an alkali produces benzaldehyde. alpha-Chlorinated toluenes are used in the end applications of perfumery, dyes, pharmaceuticals, synthetic resins, photographic chemicals, warfare chemicals, penicillins, quaternary ammonium compounds, plasticizer and esters.

BENZOYL CHLORIDE, benzenecarbonyl chloride. Molecular weight: 140.57, boiling point: 197 ° C.

The colorless liquid with a sharp bacon is slightly soluble in water and slowly hydrolyzed. It is mixed with ether, benzene, carbonsulfur and oils. It is mainly used with alcohols, phenols and amines to introduce the benzoyl group. This reaction is called the Schotten-Baumann reaction. In addition, in the preparation of benzoyl peroxide, it is used in the synthesis of colorants, in the preparation of derivatives which enable them to be recognized in the analysis of organic compounds. Irritant effect on skin, eyes and mucous membranes.

CHEMICAL DANGERS of Benzyl Chloride
Very hot poisonous and corrosive gases containing phosgene, hydrogen chloride, on hot surfaces or flammable substances. This material is contacted with warming or alkaline, alcohol, amines and dimethylsulfoxide (see ICSC 0459), causing fire and explosion. It reacts violently with strong oxidants. It reacts with water or steam, forming heat, and corrosive fumes of hydrogen chloride (see ICSC 0163). Flammable when in contact with metal salts
Hydrogen gases (see ICSC 0001).

Benzyl chloride appears as a colorless liquid with an irritating odor. Toxic by inhalation and skin absorption. Flash point 153°F. Slightly soluble in water. Corrosive to metals and tissue. A lachrymator. Density 9.2 lb /gal.

CAMEO Chemicals
Benzyl chloride is a member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine.

ChEBI
Benzyl chloride is used as a chemical intermediate in the manufacture of certain dyes and pharmaceutical products and as a photographic developer. The acute (short-term) effects of benzyl chloride from inhalation exposure in humans consist of severe irritation of the upper respiratory tract, skin, eyes, and mucous membranes, and lung damage along with pulmonary edema (fluid in lungs). Exposure to high concentrations also causes effects on the central nervous system (CNS). Animal data indicate that long- term exposure to benzyl chloride by gavage (placing it experimentally in the stomachs of mice) increased the incidence of benign and malignant tumors at multiple sites and resulted in a significant increase in thyroid tumors in female rats. EPA has classified benzyl chloride as a Group B2, probable human carcinogen.

Molecular Weight of Benzyl Chloride:   126.58 g/mol   Computed by PubChem 2.1 (PubChem release 2019.06.18)
XLogP3   2.3   Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Hydrogen Bond Donor Count of Benzyl Chloride:   0   Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Hydrogen Bond Acceptor Count of Benzyl Chloride:   0   Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Rotatable Bond Count of Benzyl Chloride:   1   Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Exact Mass of Benzyl Chloride:   126.023628 g/mol   Computed by PubChem 2.1 (PubChem release 2019.06.18)
Monoisotopic Mass of Benzyl Chloride:   126.023628 g/mol   Computed by PubChem 2.1 (PubChem release 2019.06.18)
Topological Polar Surface Area of Benzyl Chloride:   0 Å²   Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Heavy Atom Count of Benzyl Chloride:   8   Computed by PubChem
Formal Charge of Benzyl Chloride:   0   Computed by PubChem
Complexity of Benzyl Chloride:   55.4   Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Isotope Atom Count of Benzyl Chloride:   0   Computed by PubChem
Defined Atom Stereocenter Count of Benzyl Chloride:   0   Computed by PubChem
Undefined Atom Stereocenter Count of Benzyl Chloride:   0   Computed by PubChem
Defined Bond Stereocenter Count of Benzyl Chloride:   0   Computed by PubChem
Undefined Bond Stereocenter Count of Benzyl Chloride:   0   Computed by PubChem
Covalently-Bonded Unit Count of Benzyl Chloride:   1   Computed by PubChem
Compound of Benzyl Chloride Is Canonicalized:   Yes