1,1-dichloro-1-fluoroethane

• ChemBase ID: 125086
• Molecular Formular: C2H3Cl2F
• Molecular Mass: 116.9496232
• Monoisotopic Mass: 115.95958368
• SMILES: ClC(Cl)(F)C
• Canonical SMILES: CC(Cl)(Cl)F
• InChI: InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3
• InChIKey: FRCHKSNAZZFGCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-1-fluoroethane
• IUPAC Traditional name: 1,1-dichloro-1-fluoroethane
• Synonyms: Dichlorofluoroethane; R-141b; HCFC-141b; 1,1-Dichloro-1-fluoroethane

Database IDs

• CAS Number: 1717-00-6
• PubChem SID: 162219436
• PubChem CID: 15586
• Chemspider ID: 14829
• Wikipedia Title: 1,1-Dichloro-1-fluoroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8692652
• LogD (pH = 7.4): 1.8692652
• Log P: 1.8692652
• Molar Refractivity: 21.3825 cm^3
• Polarizability: 8.13184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 4 g/L (20 °C) in water
• Apperance: Colorless liquid, ethereal odor
• Melting Point: -103.5 °C
• Boiling Point: 32 °C
• Auto Ignition Point: 532 °C
• Density: 1.25 g/cm^3 at 20 °C

Safety Information

• Risk Statements: R52/53 R59
• Safety Statements: S59 S61
• EU Index: 602-084-00-X
• LD50: 5 g/kg (rat, oral)
• Explode Limits: 5.6-17.7 Vol.%