2,3-dichloro-1,1,1,3-tetrafluoropropane

• ChemBase ID: 11903
• Molecular Formular: C3H2Cl2F4
• Molecular Mass: 184.9475928
• Monoisotopic Mass: 183.9469683
• SMILES: C(C(C(F)Cl)Cl)(F)(F)F
• Canonical SMILES: FC(C(C(F)(F)F)Cl)Cl
• InChI: InChI=1S/C3H2Cl2F4/c4-1(2(5)6)3(7,8)9/h1-2H
• InChIKey: IRCLJRMKYIULFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-1,1,1,3-tetrafluoropropane
• IUPAC Traditional name: 2,3-dichloro-1,1,1,3-tetrafluoropropane
• Synonyms: 2,3-Dichloro-1,1,1,3-tetrafluoropropane

Database IDs

• CAS Number: 146916-90-7
• MDL Number: MFCD04038303
• PubChem SID: 160975210
• PubChem CID: 2782308

CALCULATED PROPERTIES

• Acid pKa: 18.37851
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.750641
• LogD (pH = 7.4): 2.750641
• Log P: 2.750641
• Molar Refractivity: 25.9115 cm^3
• Polarizability: 9.972714 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -98°C
• Boiling Point: 70.1°C

Safety Information

• Storage Warning: IRRITANT, OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 97%