1,3-dichloro-1,1-difluoropropane

• ChemBase ID: 10396
• Molecular Formular: C3H4Cl2F2
• Molecular Mass: 148.9666664
• Monoisotopic Mass: 147.96581193
• SMILES: FC(CCCl)(Cl)F
• Canonical SMILES: ClCCC(Cl)(F)F
• InChI: InChI=1S/C3H4Cl2F2/c4-2-1-3(5,6)7/h1-2H2
• InChIKey: WGABYHBTXHBSEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-1,1-difluoropropane
• IUPAC Traditional name: 1,3-dichloro-1,1-difluoropropane
• Synonyms: 1,3-Dichloro-1,1-difluoropropane

Database IDs

• CAS Number: 819-00-1
• MDL Number: MFCD01320726
• PubChem SID: 160973703
• PubChem CID: 69959

CALCULATED PROPERTIES

• Polarizability: 9.866801 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0882273
• LogD (pH = 7.4): 2.0882273
• Log P: 2.0882273
• Molar Refractivity: 26.049 cm^3

PROPERTIES

Physical Property

• Boiling Point: 81-81.5°C
• Density: 1.339

Safety Information

• Storage Warning: OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 98%