3-chloro-1,1,2,2-tetrafluoropropane

• ChemBase ID: 11882
• Molecular Formular: C3H3ClF4
• Molecular Mass: 150.5025328
• Monoisotopic Mass: 149.98594066
• SMILES: C(Cl)C(F)(F)C(F)F
• Canonical SMILES: ClCC(C(F)F)(F)F
• InChI: InChI=1S/C3H3ClF4/c4-1-3(7,8)2(5)6/h2H,1H2
• InChIKey: WMCLYSGSAJGCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1,1,2,2-tetrafluoropropane
• IUPAC Traditional name: 3-chloro-1,1,2,2-tetrafluoropropane
• Synonyms: HCFC-244ca; 3-Chloro-1,1,2,2-tetrafluoropropane; 1-Chloro-1H,1H,3H-perfluoropropane 97%; 3-Chloro-1,1,2,2-tetrafluoropropane

Database IDs

• CAS Number: 679-85-6
• MDL Number: MFCD00155712
• PubChem SID: 160975189
• PubChem CID: 120319

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0029933
• LogD (pH = 7.4): 2.0029933
• Log P: 2.0029933
• Molar Refractivity: 20.5407 cm^3
• Polarizability: 7.9806504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -101.8°C
• Boiling Point: 53-54°C
• Flash Point: none°C
• Density: 1.446; 1.4460
• Refractive Index: 1.324; 1/3240

Safety Information

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

Product Information

• Purity: 97%