dibromodifluoromethane

• ChemBase ID: 110600
• Molecular Formular: CBr2F2
• Molecular Mass: 209.8155064
• Monoisotopic Mass: 207.83348044
• SMILES: FC(F)(Br)Br
• Canonical SMILES: FC(Br)(Br)F
• InChI: InChI=1S/CBr2F2/c2-1(3,4)5
• InChIKey: AZSZCFSOHXEJQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromodifluoromethane
• IUPAC Traditional name: dibromodifluoromethane
• Synonyms: Difluorodibromomethane; Carbon dibromide difluoride; Carbon bromide fluoride; Halon 1202, Fluorocarbon 12-B2, FC 12-B2, R 12B2, UN 1941; Dibromodifluoromethane; DIBROMODIFLUOROMETHANE; 二溴二氟甲烷

Database IDs

• CAS Number: 75-61-6
• EC Number: 200-885-5
• MDL Number: MFCD00000367
• Beilstein Number: 1732515
• PubChem SID: 24860916; 162096516
• PubChem CID: 6382
• CHEMBL: 499553
• Chemspider ID: 6142
• Wikipedia Title: Dibromodifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7215292
• LogD (pH = 7.4): 2.7215292
• Log P: 2.7215292
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 9.074882 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Colourless gas/liquid
• Melting Point: -101.1°C; -141°C; -142--141 °C(lit.)
• Boiling Point: 22.8 °C; 22-23 °C(lit.)
• Density: 2.288 g/ml; 2.297 g/mL at 25 °C(lit.); 8.7 kg/m3 (for gas)2.27 g/cm3 (for liquid)
• Refractive Index: n20/D 1.398; n20/D 1.398(lit.)
• Vapor Pressure: 12.79 psi ( 20 °C); 83 kPa at 20 °C
• Vapor Density: 7.24 (vs air)
• Partition Coefficient: 1.99

Safety Information

• RTECS: PA7525000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 1941
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 59; R:51/53
• Safety Statements: 59; S:61; S23, S24/25
• Main Hazard: Dangerous for the environment (N)
• NFPA704:
  

  0

  2

  0
• Personal Protective Equipment: Gloves
• RID/ADR: UN 1941 9/PG 3

Product Information

• Purity: ≥95.0% (GC)
• Empirical Formula (Hill Notation): CBr2F2

DETAILS

MP Biomedicals - 05215669

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 34125

Other Notes
Reagent for the Wittig olefination of carbonyl compounds to difluoromethylene and fluoromethylene derivatives1,2; Precursor of difluorocarbene3
Packaging
25 mL in glass bottle