chloro(fluoro)methane

• ChemBase ID: 126529
• Molecular Formular: CH2ClF
• Molecular Mass: 68.4779832
• Monoisotopic Mass: 67.98290596
• SMILES: C(F)Cl
• Canonical SMILES: FCCl
• InChI: InChI=1S/CH2ClF/c2-1-3/h1H2
• InChIKey: XWCDCDSDNJVCLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(fluoro)methane
• IUPAC Traditional name: chlorofluoromethane
• Synonyms: Fluorochloromethane; Chloro-fluoro-methane; Methylene chloride fluoride; Monochloromonofluoromethane; CFe; Khladon 31, Freon 31, CFC 31, R 31; Chlorofluoromethane

Database IDs

• CAS Number: 593-70-4
• EC Number: 209-803-2
• PubChem SID: 162220861
• PubChem CID: 11643
• Chemspider ID: 11153
• KEGG ID: C19362
• Unique Ingredient Identifier: CUM8OUO53E
• Wikipedia Title: Chlorofluoromethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8555107
• LogD (pH = 7.4): 0.8555107
• Log P: 0.8555107
• Molar Refractivity: 11.5198 cm^3
• Polarizability: 4.38554 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Gas
• Melting Point: -133.0 °C
• Boiling Point: -9.1 °C
• Density: 1.271 kg/m^3 at 20 °C
• Henry Constant: 0.15 mol.kg^-1.bar^-1

Safety Information

• Main Hazard: Carc. Cat. 3