bromotrifluoromethane

• ChemBase ID: 126260
• Molecular Formular: CBrF3
• Molecular Mass: 148.9099096
• Monoisotopic Mass: 147.91354666
• SMILES: BrC(F)(F)F
• Canonical SMILES: FC(Br)(F)F
• InChI: InChI=1S/CBrF3/c2-1(3,4)5
• InChIKey: RJCQBQGAPKAMLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotrifluoromethane
• IUPAC Traditional name: bromotrifluoromethane
• Synonyms: Trifluorobromomethane; Monobromotrifluoromethane; Trifluoromethyl bromide; Bromofluorofore; Carbon monobromide trifluoride; Halon 1301, BTe; Freon 13Be; Freon FE 1301, R 13B1, Halon 1301 BTM; Bromotrifluoromethane

Database IDs

• CAS Number: 75-63-8
• EC Number: 200-887-6
• PubChem SID: 162220599
• PubChem CID: 6384
• Chemspider ID: 6144
• Wikipedia Title: Bromotrifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2838874
• LogD (pH = 7.4): 2.2838874
• Log P: 2.2838874
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 5.952736 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.03 g/l (20 °C) in water
• Apperance: Colorless gas
• Melting Point: -167.78 °C
• Boiling Point: -57.75 °C
• Flash Point: Non-flammable
• Density: 1.538 g/cm^3 (−58 °C)
• Vapor Pressure: 1434 kPa (20 °C)
• Partition Coefficient: 1.86

Safety Information

• RTECS: PA5425000
• UN Number: 1009
• EU Index: Not listed