1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane

• ChemBase ID: 9139
• Molecular Formular: C4Cl2F6
• Molecular Mass: 232.9392192
• Monoisotopic Mass: 231.92812468
• SMILES: C1(C(C(C1(F)F)(F)F)(F)Cl)(Cl)F
• Canonical SMILES: FC1(F)C(F)(F)C(C1(F)Cl)(F)Cl
• InChI: InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
• InChIKey: LMHAGAHDHRQIMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane
• IUPAC Traditional name: 1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane
• Synonyms: 1,2-Dichlorohexafluorocyclobutane; 1,2-Dichlorohexafluorocyclobutane 97%; HEXAFLUORO-1,2-DICHLOROCYCLOBUTANE; FC-C-316; 1,2-Dichlorohexafluorocyclobutane; 1,2-二氯六氟环己烷

Database IDs

• CAS Number: 356-18-3
• EC Number: 206-599-7
• MDL Number: MFCD00019259
• Beilstein Number: 1909267
• PubChem SID: 160972446
• PubChem CID: 9643

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6694252
• LogD (pH = 7.4): 3.6694252
• Log P: 3.6694252
• Molar Refractivity: 28.509 cm^3
• Polarizability: 11.249192 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -15°C; -15°C
• Boiling Point: 59-60°C; 59-60°C
• Density: 1.644
• Refractive Index: 1.333; 1.3330

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: GU1760000
• TSCA Listed: false; 否

Product Information

• Purity: 97%; 97+%

DETAILS

MP Biomedicals - 05220772

MP Biomedicals Rare Chemical collection