1,2-dichloro-1-fluoroethane

• ChemBase ID: 11894
• Molecular Formular: C2H3Cl2F
• Molecular Mass: 116.9496232
• Monoisotopic Mass: 115.95958368
• SMILES: C(C(Cl)F)Cl
• Canonical SMILES: ClCC(Cl)F
• InChI: InChI=1S/C2H3Cl2F/c3-1-2(4)5/h2H,1H2
• InChIKey: NDKGUMMLYBINOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1-fluoroethane
• IUPAC Traditional name: ethane, 1,2-dichloro-1-fluoro-
• Synonyms: 1,2-Dichlorofluoroethane

Database IDs

• CAS Number: 430-57-9
• MDL Number: MFCD00042131
• PubChem SID: 160975201
• PubChem CID: 79004

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7357777
• LogD (pH = 7.4): 1.7357777
• Log P: 1.7357777
• Molar Refractivity: 20.7912 cm^3
• Polarizability: 8.1125765 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C
• Boiling Point: 76°C
• Density: 1.3814

Safety Information

• Storage Warning: TOXIC, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 97%