1,1,2,2-tetrachloro-1,2-difluoroethane

• ChemBase ID: 95116
• Molecular Formular: C2Cl4F2
• Molecular Mass: 203.8302064
• Monoisotopic Mass: 201.87221716
• SMILES: ClC(F)(Cl)C(Cl)(F)Cl
• Canonical SMILES: FC(C(Cl)(Cl)F)(Cl)Cl
• InChI: InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
• InChIKey: UGCSPKPEHQEOSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrachloro-1,2-difluoroethane
• IUPAC Traditional name: 1,1,2,2-tetrachloro-1,2-difluoroethane
• Synonyms: 1,2-Difluorotetrachloroethane (FC-112) 90%

Database IDs

• CAS Number: 76-12-0
• MDL Number: MFCD00039322
• PubChem SID: 162081766
• PubChem CID: 6427

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9084637
• LogD (pH = 7.4): 2.9084637
• Log P: 2.9084637
• Molar Refractivity: 32.2084 cm^3
• Polarizability: 12.145525 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 24°C
• Boiling Point: 93°C
• Flash Point: none°C
• Density: 1.634
• Refractive Index: 1.413

Safety Information

• Storage Warning: Irritant