1,1-dichloro-1,2-difluoroethane

• ChemBase ID: 11890
• Molecular Formular: C2H2Cl2F2
• Molecular Mass: 134.9400864
• Monoisotopic Mass: 133.95016186
• SMILES: C(CF)(F)(Cl)Cl
• Canonical SMILES: FCC(Cl)(Cl)F
• InChI: InChI=1S/C2H2Cl2F2/c3-2(4,6)1-5/h1H2
• InChIKey: OIQOUHIUUREZOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-1,2-difluoroethane
• IUPAC Traditional name: 1,1-dichloro-1,2-difluoroethane
• Synonyms: 1,1-Dichloro-1,2-difluoroethane; 1,2-DICHLORO-1,1-DIFLUOROETHANE

Database IDs

• CAS Number: 1842-05-3; 431-06-1
• EC Number: 207-070-3
• MDL Number: MFCD00236664
• PubChem SID: 160975197
• PubChem CID: 33239

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7409841
• LogD (pH = 7.4): 1.7409841
• Log P: 1.7409841
• Molar Refractivity: 21.6889 cm^3
• Polarizability: 8.144383 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 45°C

Safety Information

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

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05206958

MP Biomedicals Rare Chemical collection