bromoethane

• ChemBase ID: 87360
• Molecular Formular: C2H5Br
• Molecular Mass: 108.9651
• Monoisotopic Mass: 107.95746216
• SMILES: BrCC
• Canonical SMILES: CCBr
• InChI: InChI=1S/C2H5Br/c1-2-3/h2H2,1H3
• InChIKey: RDHPKYGYEGBMSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromoethane
• IUPAC Traditional name: bromoethane
• Synonyms: Ethyl bromide; 1-Bromoethane; Bromoethane; Bromoethane; 乙基溴; 溴乙烷

Database IDs

• CAS Number: 74-96-4
• EC Number: 200-825-8
• MDL Number: MFCD00000232
• Beilstein Number: 1209224
• Merck Index: 143771
• PubChem SID: 24845430; 162074465; 24847593; 24854383
• PubChem CID: 6332
• CHEMBL: 156378
• Chemspider ID: 6092
• KEGG ID: C19354
• MeSH Name: bromoethane
• Wikipedia Title: Bromoethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.378318
• LogD (pH = 7.4): 1.378318
• Log P: 1.378318
• Molar Refractivity: 19.0444 cm^3
• Polarizability: 7.291442 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 9.1 g L^-1 (at 20 °C) in water
• Apperance: Colorless liquid
• Melting Point: -119 °C(lit.); -119°C; -119°C; -120.15 - -116.15°C (153 - 157 K)
• Boiling Point: 37.95 - 38.75°C (311.1 - 311.9 K); 37-39°C; 37-40 °C(lit.); 37-40°C
• Flash Point: -23 °C; -23°C; -23°C(-9°F); -9.4 °F
• Auto Ignition Point: 511 °C; 952 °F
• Density: 1.46 g mL^-1; 1.46 g/mL at 25 °C(lit.); 1.460; 1.461
• Refractive Index: 1.4225; 1.4235; 1.4250; n20/D 1.425; n20/D 1.425(lit.)
• Vapor Pressure: 25.32 psi ( 55 °C); 51.97 kPa (at 20 °C); 7.54 psi ( 20 °C)
• Vapor Density: ~3.75 (vs air)
• Partition Coefficient: 1.809
• Henry Constant: 1.3 μmol Pa^-1 kg^-1
• Viscosity: 402 Pa s (at 20 °C)
• Heat Capacity: 105.8 J K^-1 mol^-1
• Std enthalpy of formation: -97.6–93.4 kJ mol^-1

Safety Information

• Storage Warning: Light Sensitive; Toxic/Highly Flammable/Harmful/Light Sensitive/Keep Cold
• RTECS: KH6475000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1891; UN1891
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 11-20/22-40; R11, R20/22, R40
• Safety Statements: 36/37; S2, S36/37
• TSCA Listed: 是
• EU Index: 602-055-00-1
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  1

  2

  0
• LD50: 1.35 g kg^-1 (oral, rat)
• Explode Limits: 11.25 %; 6.75–11.25%
• GHS Hazard statements: 225, 302, 332, 351; H225-H302-H332-H351; H225-H351-H302-H332
• GHS Precautionary statements: 210, 281; P210-P241-P261-P303+P361+P353-P405-P501A; P210-P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1891 6.1/PG 2

Product Information

• Purity: ≥98.0% (GC); ≥99%; 98%
• Grade: purum; reagent grade; ReagentPlus®
• Empirical Formula (Hill Notation): C2H5Br

DETAILS

Sigma Aldrich - 124052

Packaging
1 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - 239607

Packaging
50 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC