1,1,2-trichloro-1,2-difluoroethane

• ChemBase ID: 12145
• Molecular Formular: C2HCl3F2
• Molecular Mass: 169.3851464
• Monoisotopic Mass: 167.91118951
• SMILES: C(C(F)(Cl)Cl)(F)Cl
• Canonical SMILES: FC(C(Cl)(Cl)F)Cl
• InChI: InChI=1S/C2HCl3F2/c3-1(6)2(4,5)7/h1H
• InChIKey: BQNSLJQRJAJITR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trichloro-1,2-difluoroethane
• IUPAC Traditional name: 1,1,2-trichloro-1,2-difluoroethane
• Synonyms: 1,2-Difluoro-1,1,2-trichloroethane

Database IDs

• CAS Number: 354-15-4
• MDL Number: MFCD00236669
• PubChem SID: 160975452
• PubChem CID: 92756

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4397573
• LogD (pH = 7.4): 2.4397573
• Log P: 2.4397573
• Molar Refractivity: 26.5676 cm^3
• Polarizability: 10.140513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -173°C
• Boiling Point: 72°C
• Density: 1.571

Safety Information

• Storage Warning: OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 99%