1,2-dichloro-1,1-difluoroethane

• ChemBase ID: 11892
• Molecular Formular: C2H2Cl2F2
• Molecular Mass: 134.9400864
• Monoisotopic Mass: 133.95016186
• SMILES: C(CCl)(F)(F)Cl
• Canonical SMILES: ClCC(Cl)(F)F
• InChI: InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2
• InChIKey: SKDFWEPBABSFMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1649-08-7
• MDL Number: MFCD00042125
• PubChem SID: 160975199
• PubChem CID: 15442

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9977976
• LogD (pH = 7.4): 1.9977976
• Log P: 1.9977976
• Molar Refractivity: 21.5972 cm^3
• Polarizability: 8.141261 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -101.2°C
• Boiling Point: 46-47°C
• Density: 1.4163

Safety Information

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

Product Information

• Purity: 97%