1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene

• ChemBase ID: 9340
• Molecular Formular: C6Cl2F8
• Molecular Mass: 294.9574256
• Monoisotopic Mass: 293.92493112
• SMILES: C1(C(C(C(=C(C1(F)F)Cl)Cl)(F)F)(F)F)(F)F
• Canonical SMILES: ClC1=C(Cl)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
• InChIKey: BICOGOBTBGYGFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene
• IUPAC Traditional name: 1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohex-1-ene
• Synonyms: OCTAFLUORO-1,2-DICHLOROCYCLOHEXENE-1; 1,2-Dichlorooctafluorocyclohex-1-ene 97%; 1,2-Dichlorooctafluorocyclohex-1-ene; 1,2-Dichlorooctafluorocyclohexene; 1,2-二氯八氟环己烯

Database IDs

• CAS Number: 336-19-6; 850623-55-1
• EC Number: 206-408-7
• MDL Number: MFCD00039466
• PubChem SID: 160972647
• PubChem CID: 67641

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8033128
• LogD (pH = 7.4): 3.8033128
• Log P: 3.8033128
• Molar Refractivity: 38.423 cm^3
• Polarizability: 14.529582 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-114°C; 113°C
• Density: 1.719
• Refractive Index: 1.375

Safety Information

• Storage Warning: TOXIC; Toxic
• RTECS: GW6000000
• European Hazard Symbols: Toxic (T)
• UN Number: UN2810
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 23
• Safety Statements: 36-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H330
• GHS Precautionary statements: P280F-P304+P340-P309-P310

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05210125

MP Biomedicals Rare Chemical collection