1,2-dichloro-1-fluoroethene

• ChemBase ID: 94823
• Molecular Formular: C2HCl2F
• Molecular Mass: 114.9337432
• Monoisotopic Mass: 113.94393361
• SMILES: F/C(=C/Cl)/Cl
• Canonical SMILES: Cl/C=C(\Cl)/F
• InChI: InChI=1S/C2HCl2F/c3-1-2(4)5/h1H
• InChIKey: LWDGFGTYBDRKHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1-fluoroethene
• IUPAC Traditional name: 1,2-dichloro-1-fluoroethene
• Synonyms: 1,2-Dichloro-1-fluoroethylene (FC-1121) 98%

Database IDs

• CAS Number: 430-58-0
• MDL Number: MFCD08461576
• PubChem SID: 162081477
• PubChem CID: 5370463

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8907456
• LogD (pH = 7.4): 1.8907456
• Log P: 1.8907456
• Molar Refractivity: 30.542 cm^3
• Polarizability: 7.8894777 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35°C
• Density: 1.403

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC2420

Cylinder - 1/4" NPT connection