bromo(chloro)difluoromethane

• ChemBase ID: 11831
• Molecular Formular: CBrClF2
• Molecular Mass: 165.3645064
• Monoisotopic Mass: 163.88399612
• SMILES: ClC(Br)(F)F
• Canonical SMILES: FC(Br)(Cl)F
• InChI: InChI=1S/CBrClF2/c2-1(3,4)5
• InChIKey: MEXUFEQDCXZEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(chloro)difluoromethane
• IUPAC Traditional name: bromochlorodifluoromethane
• Synonyms: Bromochlorodifluoromethane; Chlorodifluoromonobromomethane; Halon 1211, Halon 1211 BCe; BCe; Freon 12B1

Database IDs

• CAS Number: 353-59-3
• EC Number: 206-537-9
• MDL Number: MFCD00042122
• PubChem SID: 160975138
• PubChem CID: 9625
• Chemspider ID: 9248
• Unique Ingredient Identifier: 91I5X8AJXS
• Wikipedia Title: Bromochlorodifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5714765
• LogD (pH = 7.4): 2.5714765
• Log P: 2.5714765
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 7.7641377 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless gas
• Melting Point: -159.5 °C; -160.5°C
• Boiling Point: -2.5°C; -3.7 °C
• Density: 1.799 g/cm^3

Safety Information

• Storage Warning: GAS, OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 97%