1,1,2-tribromoethane

• ChemBase ID: 145032
• Molecular Formular: C2H3Br3
• Molecular Mass: 266.75722
• Monoisotopic Mass: 263.7784861
• SMILES: C(C(Br)Br)Br
• Canonical SMILES: BrCC(Br)Br
• InChI: InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2
• InChIKey: QUMDOMSJJIFTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-tribromoethane
• IUPAC Traditional name: ethane, 1,1,2-tribromo-
• Synonyms: 1,1,2-Tribromoethane; 1,1,2-三溴乙烷

Database IDs

• CAS Number: 78-74-0
• EC Number: 201-138-6
• MDL Number: MFCD00039168
• PubChem SID: 24871263; 162239242
• PubChem CID: 66222

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8687677
• LogD (pH = 7.4): 1.8687677
• Log P: 1.8687677
• Molar Refractivity: 34.3264 cm^3
• Polarizability: 13.701551 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 187-190 °C/721 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 2.61 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.593(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 23-26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 99%
• Linear Formula: BrCH2CHBr2

DETAILS

Sigma Aldrich - 476498

Packaging
5 mL in glass bottle