1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene

• ChemBase ID: 94854
• Molecular Formular: C5Cl2F6
• Molecular Mass: 244.9499192
• Monoisotopic Mass: 243.92812468
• SMILES: ClC1=C(Cl)C(F)(F)C(C1(F)F)(F)F
• Canonical SMILES: ClC1=C(Cl)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
• InChIKey: ABPBVCKGWWGZDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene
• IUPAC Traditional name: 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene
• Synonyms: FC-C-1416, 1,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene; 1,2-Dichlorohexafluorocyclopent-1-ene; Perfluoro(1,2-dichlorocyclopent-1-ene) 97%; 1,2-Dichlorohexafluorocyclopentene; FC-C-1416; 1,2-DICHLOROHEXAFLUORO-1-CYCLOPENTENE; 1,2-二氯六氟环戊烯

Database IDs

• CAS Number: 706-79-6
• EC Number: 211-895-4
• MDL Number: MFCD00019302
• Beilstein Number: 2053012
• PubChem SID: 24878821; 162081508
• PubChem CID: 12815

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.10267
• LogD (pH = 7.4): 3.10267
• Log P: 3.10267
• Molar Refractivity: 33.755 cm^3
• Polarizability: 12.651288 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -105.8°C; -106°C
• Boiling Point: 90 °C(lit.); 90°C; 90°C
• Flash Point: None
• Density: 1.635; 1.635 g/mL at 25 °C(lit.); 1.651
• Refractive Index: 1.3676; n20/D 1.37(lit.)

Safety Information

• Storage Warning: Toxic/Irritant
• RTECS: GY5976200
• European Hazard Symbols: Toxic (T)
• UN Number: 2810; UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22-23-36/37/38
• Safety Statements: 26-36-45; 4-9-20-26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H331-H335; H301-H331-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338-P311; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: Cl2C5F6

DETAILS

MP Biomedicals - 05204173

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 545333

Packaging
5, 25 g in glass bottle