1-chloro-1-fluoroethene

• ChemBase ID: 7022
• Molecular Formular: C2H2ClF
• Molecular Mass: 80.4886832
• Monoisotopic Mass: 79.98290596
• SMILES: C(=C)(F)Cl
• Canonical SMILES: FC(=C)Cl
• InChI: InChI=1S/C2H2ClF/c1-2(3)4/h1H2
• InChIKey: FPBWSPZHCJXUBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1-fluoroethene
• IUPAC Traditional name: 1-chloro-1-fluoroethene
• Synonyms: 1-Chloro-1-fluoroethylene; 1-Chloro-1-fluoroethene

Database IDs

• CAS Number: 2317-91-1
• MDL Number: MFCD00042129
• PubChem SID: 160970329
• PubChem CID: 75344

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5735481
• LogD (pH = 7.4): 1.5735481
• Log P: 1.5735481
• Molar Refractivity: 25.7404 cm^3
• Polarizability: 5.9006143 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -169°C
• Boiling Point: -24°C

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC1865

Inhibited with 0.1% d-limonene, Cylinder - 1/4" NPT connection