dichlorodifluoromethane

• ChemBase ID: 126983
• Molecular Formular: CCl2F2
• Molecular Mass: 120.9135064
• Monoisotopic Mass: 119.9345118
• SMILES: ClC(Cl)(F)F
• Canonical SMILES: FC(Cl)(Cl)F
• InChI: InChI=1S/CCl2F2/c2-1(3,4)5
• InChIKey: PXBRQCKWGAHEHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorodifluoromethane
• IUPAC Traditional name: dichlorodifluoromethane
• Synonyms: Carbon dichloride difluoride; Dichloro-difluoro-methane; Difluorodichloromethane; Freon 12, R-12, CFC-12, P-12, Propellant 12, Halon 122, Arcton 6, Arcton 12, E940; Dichlorodifluoromethane

Database IDs

• CAS Number: 75-71-8
• EC Number: 200-893-9
• PubChem SID: 162221306
• PubChem CID: 6391
• Chemspider ID: 6151
• KEGG ID: D03789
• Unique Ingredient Identifier: OFM06SG1KO
• Wikipedia Title: Dichlorodifluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4214237
• LogD (pH = 7.4): 2.4214237
• Log P: 2.4214237
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 6.4707804 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.286 g/l at 20 °C in water; Soluble in alcohol, ether, benzene, acetic acid
• Apperance: Colorless gas with ether-like odor
• Melting Point: -157.7°C
• Boiling Point: -29.8°C
• Flash Point: Non-flammable
• Density: 1.486 g/cm3 (−29.8 °C)
• Vapor Pressure: 568 kPa (20 °C)
• Partition Coefficient: 2.16
• Henry Constant: 0.0025 mol kg^-1 bar^-1

Safety Information

• RTECS: PA8200000
• UN Number: 1028
• Risk Statements: R44 R59
• Safety Statements: S9 S38
• EU Index: Not listed
• Main Hazard: Damaging to Earth's protective ozone