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

• ChemBase ID: 10400
• Molecular Formular: C2HCl3F2
• Molecular Mass: 169.3851464
• Monoisotopic Mass: 167.91118951
• SMILES: FC(C(Cl)Cl)(Cl)F
• Canonical SMILES: ClC(C(Cl)(F)F)Cl
• InChI: InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H
• InChIKey: FQAMAOOEZDRHHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 354-21-2
• EC Number: 206-548-9
• MDL Number: MFCD00039339
• PubChem SID: 160973707
• PubChem CID: 9630

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.666498
• LogD (pH = 7.4): 2.666498
• Log P: 2.666498
• Molar Refractivity: 26.6513 cm^3
• Polarizability: 10.136366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -141°C
• Boiling Point: 72°C
• Density: 1.559; 1.559 g/ml
• Refractive Index: 1.3909

Safety Information

• Storage Warning: IRRITANT, OZONE DEPLETER
• RTECS: KI1435000
• TSCA Listed: false

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05220811

MP Biomedicals Rare Chemical collection