1,2-dichloro-1,2-difluoroethane

• ChemBase ID: 11893
• Molecular Formular: C2H2Cl2F2
• Molecular Mass: 134.9400864
• Monoisotopic Mass: 133.95016186
• SMILES: C(C(Cl)F)(F)Cl
• Canonical SMILES: FC(C(Cl)F)Cl
• InChI: InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H
• InChIKey: IDSKMUOSMAUASS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 431-06-1
• MDL Number: MFCD00045245
• PubChem SID: 160975200
• PubChem CID: 33241

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: 8.136221 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -155°C
• Boiling Point: 58-59°C
• Density: 1.4655
• Refractive Index: 1.3760

Safety Information

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

Product Information

• Purity: 97%