1-chloro-1,2-difluoroethene

• ChemBase ID: 97031
• Molecular Formular: C2HClF2
• Molecular Mass: 98.4791464
• Monoisotopic Mass: 97.97348415
• SMILES: Cl/C(=C/F)/F
• Canonical SMILES: F/C=C(/Cl)\F
• InChI: InChI=1S/C2HClF2/c3-2(5)1-4/h1H
• InChIKey: CJENPNUXCMYXPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2-difluoroethene
• IUPAC Traditional name: 1-chloro-1,2-difluoroethene
• Synonyms: 1-Chloro-1,2-difluoroethene; 1-Chloro-1,2-difluoroethylene 97%

Database IDs

• CAS Number: 359-04-6
• MDL Number: MFCD01726891
• PubChem SID: 162083659
• PubChem CID: 5463105

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4294028
• LogD (pH = 7.4): 1.4294028
• Log P: 1.4294028
• Molar Refractivity: 25.9536 cm^3
• Polarizability: 5.912078 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -5°C/760mm
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC3774

Inhibited with d-limonene, Cylinder - 1/4" NPTM connection