1,1-dichloro-2,2-difluoroethane

• ChemBase ID: 11891
• Molecular Formular: C2H2Cl2F2
• Molecular Mass: 134.9400864
• Monoisotopic Mass: 133.95016186
• SMILES: C(C(F)F)(Cl)Cl
• Canonical SMILES: FC(C(Cl)Cl)F
• InChI: InChI=1S/C2H2Cl2F2/c3-1(4)2(5)6/h1-2H
• InChIKey: VLIDBBNDBSNADN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 471-43-2
• MDL Number: MFCD02094735
• PubChem SID: 160975198
• PubChem CID: 33240

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9710507
• LogD (pH = 7.4): 1.9710507
• Log P: 1.9710507
• Molar Refractivity: 20.9268 cm^3
• Polarizability: 8.130908 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60°C
• Density: 1.4945

Safety Information

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

Product Information

• Purity: 97%