1,1-dichloro-2,2-difluoroethene

• ChemBase ID: 8944
• Molecular Formular: C2Cl2F2
• Molecular Mass: 132.9242064
• Monoisotopic Mass: 131.9345118
• SMILES: C(=C(F)F)(Cl)Cl
• Canonical SMILES: FC(=C(Cl)Cl)F
• InChI: InChI=1S/C2Cl2F2/c3-1(4)2(5)6
• InChIKey: QDGONURINHVBEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2,2-difluoroethene
• IUPAC Traditional name: dichlorodifluoroethylene
• Synonyms: 1,1-Dichloro-2,2-difluoroethylene; FC-1112a; 1,1-Dichloro-2,2-difluoroethylene (FC-1112a) 97%; Dichlorodifluoroethylene

Database IDs

• CAS Number: 79-35-6
• MDL Number: MFCD00039338
• PubChem SID: 160972251
• PubChem CID: 6592
• Chemspider ID: 21106435
• Wikipedia Title: Dichlorodifluoroethylene

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: 7.9225326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -116°C
• Boiling Point: 19°C
• Density: 1.439

Safety Information

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

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC2360

Cylinder - 1/4" NPT connection