(Z)-1,2-dichloro-1,2-difluoroethene

• ChemBase ID: 8937
• Molecular Formular: C2Cl2F2
• Molecular Mass: 132.9242064
• Monoisotopic Mass: 131.9345118
• SMILES: C(=C(\F)/Cl)(\F)/Cl
• Canonical SMILES: F/C(=C(/Cl)\F)/Cl
• InChI: InChI=1S/C2Cl2F2/c3-1(5)2(4)6/b2-1-
• InChIKey: UPVJEODAZWTJKZ-UPHRSURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-1,2-dichloro-1,2-difluoroethene; 1,2-dichloro-1,2-difluoroethene
• IUPAC Traditional name: (Z)-1,2-dichloro-1,2-difluoroethene; 1,2-dichloro-1,2-difluoroethene
• Synonyms: 1,2-Dichloro-1,2-difluoroethylene; 1,2-Dichloro-1,2-difluoroethylene (E/Z mixture) 90%

Database IDs

• CAS Number: 598-88-9
• MDL Number: MFCD06246847
• PubChem SID: 160972244
• PubChem CID: 2736814

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0402873
• LogD (pH = 7.4): 2.0402873
• Log P: 2.0402873
• Molar Refractivity: 41.505 cm^3
• Polarizability: 7.9295354 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 21-22°C
• Density: 1.494

Safety Information

• Storage Warning: Irritant; IRRITANT, GAS
• TSCA Listed: false

Product Information

• Purity: 99%

DETAILS

Apollo Scientific Ltd - PC2370

Cylinder - 1/4" NPT connection