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1-BROMOHEXANE

1-Bromohexane is an organic compound with the molecular formula C6H13Br.
1-Bromohexane is a colorless liquid that is widely used in organic synthesis, mainly as a reagent for the formation of alkyl bromides.
Due to 1-Bromohexane low boiling point, 1-bromohexane is also used as a solvent in many industrial and laboratory applications.

CAS Number: 111-25-1
EC Number: 203-850-2
IUPAC Name: 1-Bromohexane
Chemical Formula: C6H13Br

Other names: Hexyl bromide, 111-25-1, n-Hexyl bromide, Bromohexane, 1-Hexyl bromide, Hexane, 1-bromo-, Pentane, bromomethyl-, 1-bromo-hexane, UNII-WVA0FAX7GA, WVA0FAX7GA, EINECS 203-850-2, Hexane, 1-bromo, NSC 71206, 1-BroMohexane--d2, DTXSID4021929, AI3-28588, 1-BroMohexane--d4, MFCD00000271, NSC-71206, DTXCID101929, EC 203-850-2, hexylbromide, n-hexylbromide, nHexyl bromide, 1-hexylbromide, 6-bromohexane, 1-bromohexan, 1Hexyl bromide, 1-bromanylhexane, 1 -bromohexane, Hexane, 1bromo, 1-bromo-n-hexane, 1-Bromo-hexane; 1-Hexane bromide; 1-Hexylbromide; Hexyl bromide; NSC 71206; n-Hexyl bromide, 1-Bromohexane, 98%, 1-bromo-5-methylpentane, NCIOpen2_000490, SCHEMBL33363, CHEMBL3187491, NSC71206, Tox21_202719, BBL012217, STL163558, AKOS000118767, RP10077, NCGC00260267-01, BP-31175, CAS-111-25-1, VS-03238, 1-Bromohexane, purum, >=98.0% (GC), DB-003859, B0600, NS00008046, EN300-19402, A802329, Q3292844, F0001-0236

1-Bromohexane is organobromine compound with formula Br(CH2)5CH3.
1-Bromohexane is a colorless liquid.

1-Bromohexane is utilized in the preparation of pharmaceuticals and organic chemicals.
1-Bromohexane is involved in Grignard reactions as an alkylating agent and in the synthesis of bromo-cyclic compounds.

Due to 1-Bromohexane low boiling point, 1-bromohexane is also used as a solvent in many industrial and laboratory applications.
1-Bromohexane is a widely used precursor in the synthesis of a variety of organic compounds.

Uses of 1-Bromohexane:
1-Bromohexane is used to manufacture pharmaceuticals and organic chemicals.
Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

1-Bromohexane is a very useful synthetic intermediate，1-Bromohexane can be used to react with Mg to prepare Grignard reagents which play an important role in formation of carbon-carbon bond.

Chemical Properties of 1-Bromohexane:
1-Bromohexane is a colourless liquid organohalide.
1-Bromohexane is a solvent that is frequently used in grignard reactions.
1-Bromohexane is also used as Intermediate, for introduction of hexyl group.

Chemical Nature of 1-Bromohexane:
1-Bromohexane is organobromine compound with formula Br(CH2)5CH3.
1-Bromohexane is a colorless liquid.

Synthesis and Reactions of 1-Bromohexane:
Most 1-bromoalkanes are prepared by free-radical addition of hydrogen bromide to the 1-alkene.
These conditions lead to anti-Markovnikov addition, giving the 1-bromo derivative.

1-Bromohexane undergoes reactions expected of simple alkyl bromides.
1-Bromohexane can form Grignard reagents.
1-Bromohexane reacts with potassium fluoride to give the corresponding fluorocarbons.

Synthesis Method of 1-Bromohexane:
1-Bromohexane can be synthesized in several ways.
One of the most common methods is the nucleophilic substitution reaction of hexane with bromine in the presence of a Lewis acid catalyst.

This reaction is usually carried out in an inert atmosphere, such as nitrogen or argon, to prevent oxidation of the bromine.
Another method for the synthesis of 1-bromohexane is the direct addition of bromine to hexane.
This reaction is usually carried out in the presence of a radical initiator, such as t-butyl hydroperoxide, to generate the bromine radical.

Mechanism of Action of 1-Bromohexane:
1-Bromohexane is a nucleophilic reagent, which means that 1-Bromohexane reacts with electrophiles (electron-rich molecules) to form a new bond.
In the synthesis of alkyl bromides, 1-bromohexane reacts with the electrophilic carbon atom of the alkyl halide to form a new carbon-bromine bond.
This reaction is usually catalyzed by a Lewis acid, such as aluminum chloride or boron trifluoride.

Biochemical and Physiological Effects of 1-Bromohexane:
1-Bromohexane is not known to have any biochemical or physiological effects.
1-Bromohexane is considered to be non-toxic and is not believed to be a carcinogen.
However, 1-Bromohexane is important to note that 1-Bromohexane is a flammable liquid and should be handled with care.

Advantages and Limitations for Lab Experiments of 1-Bromohexane:
1-Bromohexane has several advantages for use in laboratory experiments.
1-Bromohexane is a relatively inexpensive reagent and is readily available in many chemical supply stores.

1-Bromohexane is also a low boiling point solvent, which makes 1-Bromohexane ideal for use in reactions that require low temperature conditions.
In addition, 1-Bromohexane is a relatively non-toxic compound and is not believed to be a carcinogen.

However, 1-bromohexane has several limitations for use in laboratory experiments.
1-Bromohexane is a flammable liquid and should be handled with care.

1-Bromohexane is also volatile and has a low flash point, which means that 1-Bromohexane can ignite easily.
In addition, 1-Bromohexane can react with other compounds in the presence of a catalyst, so 1-Bromohexane should not be used in reactions that require a high degree of selectivity.

Future Directions of 1-Bromohexane:
1-Bromohexane has a wide range of potential applications in the synthesis of organic compounds.
In the future, 1-Bromohexane could be used as a precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.

In addition, 1-Bromohexane could be used as a reagent in the synthesis of polymers, such as poly(vinyl chloride), poly(ethylene terephthalate), and poly(vinyl acetate).
1-Bromohexane could also be used as a solvent in organic reactions, such as the synthesis of alkyl bromides.

Finally, 1-bromohexane could be used in the synthesis of other organic compounds, such as alcohols, amines, and carboxylic acids.

Handling and Storage of 1-Bromohexane:

Advice on protection against fire and explosion:
Keep away from open flames, hot surfaces and sources of ignition.
Take precautionary measures against static discharge.

Molecular Weight: 165.07 g/mol
XLogP3: 3.8
Rotatable Bond Count: 4
Exact Mass: 164.02006 g/mol
Monoisotopic Mass: 164.02006 g/mol
Topological Polar Surface Area: 0Å²
Heavy Atom Count: 7
Complexity: 27.4
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Hygiene measures:
Immediately change contaminated clothing.
Apply preventive skin protection.
Wash hands and face after working with 1-Bromohexane.

Conditions for safe storage, including any incompatibilities:

Storage conditions:
Keep container tightly closed in a dry and well-ventilated place.
Keep away from heat and sources of ignition.

Storage class:
Storage class (TRGS 510): 3: Flammable liquids

Stability and Reactivity of 1-Bromohexane:

Reactivity:
Vapor/air-mixtures are explosive at intense warming.

Chemical stability:
1-Bromohexane is chemically stable under standard ambient conditions (room temperature).

Conditions to avoid:
Heating.

Incompatible materials:
Strong oxidizing agents, Strong bases

Hazardous decomposition products:
In the event of fire

First Aid Measures of 1-Bromohexane:

General advice:
Show 1-Bromohexane safety data sheet to the doctor in attendance.

After inhalation:
Fresh air.

In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.

After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.

After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.

Most important symptoms and effects, both acute and delayed:
The most important known symptoms and effects are described in the labelling.

Firefighting Measures of 1-Bromohexane:

Suitable extinguishing media:
Water Foam Carbon dioxide (CO2) Dry powder

Unsuitable extinguishing media:
For 1-Bromohexane no limitations of extinguishing agents are given.

Special hazards arising from 1-Bromohexane or mixture:
Carbon oxides
Hydrogen bromide gas

Vapors are heavier than air and may spread along floors.
Forms explosive mixtures with air at elevated temperatures.
Development of hazardous combustion gases or vapours possible in the event of fire.

Advice for firefighters:
Stay in danger area only with self-contained breathing apparatus.
Prevent skin contact by keeping a safe distance or by wearing suitable protective clothing.

Further informations:
Remove container from danger zone and cool with water.
Suppress (knock down) gases/vapors/mists with a water spray jet.
Prevent fire extinguishing water from contaminating surface water or the ground water system.

Accidental Release Measures of 1-Bromohexane:

Advice for non-emergency personnel:
Do not breathe vapors, aerosols.
Avoid substance contact.

Ensure adequate ventilation.
Keep away from heat and sources of ignition.
Evacuate the danger area, observe emergency procedures, consult an expert.

Environmental precautions:
Do not let product enter drains.
Risk of explosion.

Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.

Observe possible material restrictions.
Take up with liquid-absorbent material (e.g. Chemizorb).

Dispose of properly.
Clean up affected area.