1,2-difluoroethane

• ChemBase ID: 9123
• Molecular Formular: C2H4F2
• Molecular Mass: 66.0499664
• Monoisotopic Mass: 66.02810657
• SMILES: C(CF)F
• Canonical SMILES: FCCF
• InChI: InChI=1S/C2H4F2/c3-1-2-4/h1-2H2
• InChIKey: AHFMSNDOYCFEPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoroethane
• IUPAC Traditional name: 1,2-difluoroethane
• Synonyms: 1,2-Difluoroethane; 1,2-Difluoroethane (FC-152) 99%

Database IDs

• CAS Number: 624-72-6
• MDL Number: MFCD00039286
• PubChem SID: 160972430
• PubChem CID: 12223

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.57350445
• LogD (pH = 7.4): 0.57350445
• Log P: 0.57350445
• Molar Refractivity: 11.1694 cm^3
• Polarizability: 4.1463685 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 30.7°C; 31°C
• Density: 0.913

Safety Information

• Storage Warning: Highly Toxic/Flammable; TOXIC, FLAMMABLE
• TSCA Listed: false

DETAILS

Apollo Scientific Ltd - PC7081

Cylinder - 1/4" NPT connection