1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane

• ChemBase ID: 8036
• Molecular Formular: C4Cl4F4
• Molecular Mass: 265.8484128
• Monoisotopic Mass: 263.8690236
• SMILES: C1(C(C(C1(Cl)Cl)(Cl)Cl)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(C1(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C4Cl4F4/c5-1(6)2(7,8)4(11,12)3(1,9)10
• InChIKey: ZWDCJLJWIQMWBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane
• IUPAC Traditional name: 1,1,2,2-tetrachloro-3,3,4,4-tetrafluorocyclobutane
• Synonyms: 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE; 1,1,2,2-Tetrachlorotetrafluorocyclobutane 97%; 1,1,2,2-Tetrachlorotetrafluorocyclobutane; 1,1,2,2-Tetrachlorotetrafluorocyclobutane; 1,1,2,2-四氯四氟环丁烷

Database IDs

• CAS Number: 336-50-5
• EC Number: 206-409-2
• MDL Number: MFCD00039440
• PubChem SID: 160971343
• PubChem CID: 67642

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5362797
• LogD (pH = 7.4): 4.5362797
• Log P: 4.5362797
• Molar Refractivity: 38.346 cm^3
• Polarizability: 15.010909 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84.8°C; 84-86°C; 85°C
• Boiling Point: 131.6°C; 131-133°C; 132°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false; 否

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05218823

MP Biomedicals Rare Chemical collection