1,2-dichloro-3,3,4,4-tetrafluorocyclobut-1-ene

• ChemBase ID: 94884
• Molecular Formular: C4Cl2F4
• Molecular Mass: 194.9424128
• Monoisotopic Mass: 193.93131824
• SMILES: FC1(C(=C(C1(F)F)Cl)Cl)F
• Canonical SMILES: ClC1=C(Cl)C(C1(F)F)(F)F
• InChI: InChI=1S/C4Cl2F4/c5-1-2(6)4(9,10)3(1,7)8
• InChIKey: KAHIKRWJVIBASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3,3,4,4-tetrafluorocyclobut-1-ene
• IUPAC Traditional name: 1,2-dichloro-3,3,4,4-tetrafluorocyclobut-1-ene
• Synonyms: 1,2-Dichloro-3,3,4,4-tetrafluorocyclobut-1-ene; Perfluoro(1,2-dichlorocyclobut-1-ene) 97%; 1,2-DICHLOROTETRAFLUOROCYCLOBUTENE

Database IDs

• CAS Number: 377-93-5
• MDL Number: MFCD00019268
• PubChem SID: 162081538
• PubChem CID: 136220

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4020274
• LogD (pH = 7.4): 2.4020274
• Log P: 2.4020274
• Molar Refractivity: 29.087 cm^3
• Polarizability: 10.793388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -43°C
• Boiling Point: 67.1/760°C
• Flash Point: none°C
• Density: 1.534
• Refractive Index: 1.3699

Safety Information

• Storage Warning: Toxic/Harmful/Irritant

DETAILS

MP Biomedicals - 05215922

MP Biomedicals Rare Chemical collection