1,1,1,3-tetrachloro-2,2,3,3-tetrafluoropropane

• ChemBase ID: 12130
• Molecular Formular: C3Cl4F4
• Molecular Mass: 253.8377128
• Monoisotopic Mass: 251.8690236
• SMILES: ClC(Cl)(C(C(F)(F)Cl)(F)F)Cl
• Canonical SMILES: FC(C(Cl)(Cl)Cl)(C(Cl)(F)F)F
• InChI: InChI=1S/C3Cl4F4/c4-2(5,6)1(8,9)3(7,10)11
• InChIKey: IQJADVFBZGJGSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3-tetrachloro-2,2,3,3-tetrafluoropropane
• IUPAC Traditional name: 1,1,1,3-tetrachloro-2,2,3,3-tetrafluoropropane
• Synonyms: 1,1,1,3-Tetrachlorotetrafluoropropane; 2,2,3,3-TETRAFLUORO-1,1,1,3-TETRACHLORO PROPANE

Database IDs

• CAS Number: 175135-73-6; 2268-46-4
• MDL Number: MFCD00039325
• PubChem SID: 160975437
• PubChem CID: 61288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6091065
• LogD (pH = 7.4): 3.6091065
• Log P: 3.6091065
• Molar Refractivity: 36.8764 cm^3
• Polarizability: 13.966535 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -92.8°C
• Boiling Point: 114°C
• Density: 1.6927
• Refractive Index: 1.3994

Safety Information

• Storage Warning: OZONE DEPLETER
• TSCA Listed: true

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225633

MP Biomedicals Rare Chemical collection