chlorodifluoromethane

• ChemBase ID: 126525
• Molecular Formular: CHClF2
• Molecular Mass: 86.4684464
• Monoisotopic Mass: 85.97348415
• SMILES: ClC(F)F
• Canonical SMILES: FC(Cl)F
• InChI: InChI=1S/CHClF2/c2-1(3)4/h1H
• InChIKey: VOPWNXZWBYDODV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodifluoromethane
• IUPAC Traditional name: chlorodifluoromethane
• Synonyms: Difluoromonochloromethane; Monochlorodifliuoromethane; HCFC-22, R-22, Genetron 22, Freon 22, Arcton 4, Arcton 22, UN 1018,; Chlorodifluoromethane

Database IDs

• CAS Number: 75-45-6
• EC Number: 200-871-9
• PubChem SID: 162220857
• PubChem CID: 6372
• CHEMBL: 116155
• Chemspider ID: 6132
• KEGG ID: C19361
• Wikipedia Title: Chlorodifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4119273
• LogD (pH = 7.4): 1.4119273
• Log P: 1.4119273
• Molar Refractivity: 11.6977 cm^3
• Polarizability: 4.4675493 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.7799 vol/vol at 25 °C; 3.628 g/L in water
• Apperance: Colorless gas
• Melting Point: -175.42°C
• Boiling Point: -40.7°C
• Auto Ignition Point: 632 °C
• Density: 3.66 kg/m^3 at 15°C, gas
• Vapor Pressure: 908 kPa at 20 °C
• Partition Coefficient: 1.08
• Henry Constant: 0.033 mol.kg^-1.bar^-1

Safety Information

• RTECS: PA6390000
• Risk Statements: R59
• Safety Statements: S23 S24 S25 S59
• Main Hazard: Dangerous for the environment (N), Central nervous system depressant, Carc. Cat. 3
• NFPA704:
  

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