1,1,1-TRIBROMOETHANE

1,1,1-Tribromoethane has several laboratory and industrial uses.
1,1,1-Tribromoethane is used dehalogenation to form olefins, photocatalysis, nucleophilic substitutions.
1,1,1-Tribromoethane is used in polymers, coatings for fire safety.

CAS number: 2311‑14‑0 
EC number: not explicitly listed
Molecular Formula: C2H3Br3
Molecular Weight: 266.76 g/mol

SYNONYMS:
Methyl bromoform, 1,1,1-Tribromoethane, 2311-14-0, Ethane, tribromo-, tribromoethane, SCHEMBL830743, DTXSID20945787, 30918-78-6, Q5649561, 1,1,1-Tribromoethane, Methyl bromoform,

1,1,1-Tribromoethane is a haloalkane with the chemical formula C₂H₃Br₃.
1,1,1-Tribromoethane is a colorless liquid with a sweet, ethereal odor.
1,1,1-Tribromoethane is a dense, organobromine compound with unique properties.

1,1,1-Tribromoethane is useful in organic synthesis (intermediate, reagent).
1,1,1-Tribromoethane acts as a specialty solvent for organics and minerals.
1,1,1-Tribromoethane provides flame-retardant functionality in materials science.

1,1,1-Tribromoethane offers thermal stability and density-driven behavior.
1,1,1-Tribromoethane shows characteristic reactivity in elimination and substitution chemistry.

USES and APPLICATIONS of 1,1,1-TRIBROMOETHANE:
Flame Retardant & Material Science uses of 1,1,1-Tribromoethane: Brominated ethers contribute to flame retardancy in polymers and coatings, harnessing the inertiveness and bromine content of molecules like this.

Though not produced in large scale, 1,1,1-Tribromoethane has several laboratory and industrial uses.
Organic synthesis reagent: 1,1,1-Tribromoethane is used dehalogenation to form olefins, photocatalysis, nucleophilic substitutions.
Material science & flame retardancy: 1,1,1-Tribromoethane is used in polymers, coatings for fire safety.

-Organic Synthesis uses of 1,1,1-Tribromoethane:
1,1,1-Tribromoethane serves as a reagent or intermediate in organic chemistry for elimination, nucleophilic substitution, or dehalogenation reactions (e.g., to form ethylene or dibromoethane derivatives).
1,1,1-Tribromoethane is employed in specialized synthesis processes to attach or exchange bromine atoms.

-Solvent & Extraction Agent uses of 1,1,1-Tribromoethane:
With 1,1,1-Tribromoethane's high density and affinity for organics, useful as a heavy solvent in mineral separation, and for extracting greases, waxes, and oils (mirroring bromoform’s application).

CHARACTERISTICS OF 1,1,1-TRIBROMOETHANE:
1,1,1-Tribromoethane is a haloalkane (IUPAC: 1,1,1‑tribromoethane), also known as methyl bromoform.
1,1,1-Tribromoethane's structurally similar to bromoform (tribromomethane), with three bromine atoms attached to one carbon and one carbon bearing three hydrogens.

KEY CHEMICAL TRAITS OF 1,1,1-TRIBROMOETHANE:
High molecular weight (~266.76 g/mol).
Dense, heavy molecule (density ~2.6 g/cm³).
1,1,1-Tribromoethane is colorless crystalline solid near room temperature or liquid depending on conditions (melting point ~30 °C, boiling ~187–190 °C).

Tetrahedral molecular geometry (C₃ᵥ symmetry) akin to bromoform.
1,1,1-Tribromoethane’s only moderately soluble in water (log WS ≈ –3.06), but readily dissolves in organic solvents.
1,1,1-Tribromoethane has moderate vapor pressure and viscosity typical of dense organobromines.

CHEMICAL & REACTIVITY PROPERTIES OF 1,1,1-TRIBROMOETHANE:
*Solubility: 
1,1,1-Tribromoethane has low water solubility; moderate in organic solvents.

*Reactivity: 
1,1,1-Tribromoethane is stable under normal conditions; incompatible with oxidizing agents, bases, certain metals (Al, Mg).

*Decomposition by-products: 
CO, CO₂, HBr.

*Reactions: 
1,1,1-Tribromoethane is used in elimination reactions to generate olefins (e.g., ethylene), reduction to lower brominated compounds.

BENEFITS OF 1,1,1-TRIBROMOETHANE:
*High density: 
1,1,1-Tribromoethane allows density-based separation processes.

*Organic solubility: 
1,1,1-Tribromoethane is excellent for extracting non-polar compounds.

*Versatility in organic reactions: 
1,1,1-Tribromoethane is useful in substitution, elimination, and reduction chemistry.

*Thermal stability: 
1,1,1-Tribromoethane is suitable for controlled reaction environments.

SPECIAL CHARACTERISTICS OF 1,1,1-TRIBROMOETHANE:
*Physical: 
Dense, heavy liquid or solid; low water solubility; high refractive index (~1.593).

*Thermochemical: 
Low enthalpy of formation (Δ_fH° ≈ –4.6 kJ/mol); moderate vapor pressure dependent on temp.

*Viscosity & Heat Capacity: 
Viscosity ranges ~0.54–3.27 mPa·s (294–440 K); gas heat capacity ~117–138 J/mol·K.

REACTION BEHAVIOR OF 1,1,1-TRIBROMOETHANE:
Typical of alkyl bromides—incompatible with strong bases/oxidizers, stable under ambient, decomposes to CO/CO₂/HBr under harsh conditions.
Favored in E2 elimination, S_N2 substitutions, and metal-catalyzed reductions.

Environmental Persistence:
Brominated ethanes, including this one, tend to be persistent with low biodegradability, warranting regulated handling.

PHYSICAL and CHEMICAL PROPERTIES of 1,1,1-TRIBROMOETHANE:
Molecular Weight: 266.76 g/mol
XLogP3-AA: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 0
Exact Mass: 265.77644 Da
Monoisotopic Mass: 263.77849 Da
Topological Polar Surface Area: 0 Ų
Heavy Atom Count: 5

Formal Charge: 0
Computed by PubChem
Complexity: 26.4
Isotope Atom Count: 0
Computed by PubChem
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Chemical formula: C2H3Br3
Molar mass: 266.758 g·mol−1
Appearance: White solid
Melting point: 30 °C (86 °F; 303 K)
InChI: InChI=1S/C2H3Br3/c1-2(3,4)5/h1H3
InChIKey: ZDUOUNIIAGIPSD-UHFFFAOYSA-N
Mol Weight: 266.758 g/mol
Molecular Formula: C2H3Br3

Exact Mass: 263.778489 g/mol
IUPAC name: 1,1,1‑Tribromoethane (aka methyl bromoform)
CAS number: 2311‑14‑0
Molecule Type: heteromolecule
Residue Name (RNME): GY9H
Formula: C2H3Br3
IUPAC InChI Key: ZDUOUNIIAGIPSD-UHFFFAOYSA-N
IUPAC InChI: InChI=1S/C2H3Br3/c1-2(3,4)5/h1H3

IUPAC Name: 1,1,1-Tribromoethane
Common Name: 1,1,1-Tribromoethane
Canonical SMILES (Daylight): CC(Br)(Br)Br
Number of atoms: 8
Net Charge: 0
Forcefield: multiple
Molecule ID: 32011
ChemSpider ID: 121202
PubChem CID: 137540
Property / Value or Description:

Formula, MW: C₂H₃Br₃; 266.76 g/mol
CAS: 2311‑14‑0
Physical: Colorless solid/liquid; mp ~30 °C; bp ~188 °C
Density: ~2.61 g/cm³
Vapor Pressure: ~1 mmHg @25 °C
Reactivity: Stable; avoid oxidizers and bases
Safety: Skin/eye/respiratory irritant; toxic if ingested
PPE: Gloves, goggles, lab coat; use fume hood
Disposal: Incineration with scrubber, per regs

ChemSpider ID: 121202
EC number: not explicitly listed
Chemical formula: C₂H₃Br₃
Molecular weight: 266.76 g/mol
Appearance: colorless to white solid (melting point ~30 °C), 
or liquid near ambient
Melting point: ≈ 30 °C (~243 K)
Boiling point: ~187–190 °C

Density: ~2.61–2.63 g/cm³ at 25 °C
Vapor pressure: ~1 mmHg at 25 °C
Refractive index: ~1.593
Phase/data from NIST: formula, molecular weight, InChI, 
and gas-phase thermochemistry ΔH_f° = –4.6 kJ/mol
InChI: InChI=1S/C2H3Br3/c1-2(3,4)5/h1H3
InChI Key: ZDUOUNIIAGIPSD-UHFFFAOYSA-N
Formula: C2H3Br3
SMILES: CC(Br)(Br)Br
Molecular Weight1: 266.76
CAS: 2311-14-0

FIRST AID MEASURES of 1,1,1-TRIBROMOETHANE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation: 
Fresh air.
*In case of skin contact: 
Take off immediately all contaminated clothing. 
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact: 
Rinse out with plenty of water. 
Call in ophthalmologist. 
Remove contact lenses.
*If swallowed:
After swallowing: 
Immediately make victim drink water (two glasses at most). 
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of 1,1,1-TRIBROMOETHANE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains. 
Collect, bind, and pump off spills. 
Observe possible material restrictions. 
Take up dry. 
Dispose of properly. 
Clean up affected area.

FIRE FIGHTING MEASURES of 1,1,1-TRIBROMOETHANE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2) 
Foam 
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,1,1-TRIBROMOETHANE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection. 
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A 
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of 1,1,1-TRIBROMOETHANE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed. 
Dry.

STABILITY and REACTIVITY of 1,1,1-TRIBROMOETHANE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available