1,2-Dichloroperfluorocyclopentene
Basic information
- CAS
706-79-6- Standard SMILES
FC1(F)C(Cl)=C(Cl)C(F)(F)C1(F)F- InChIKey
ABPBVCKGWWGZDP-UHFFFAOYSA-N- Molecular formula
- C5Cl2F6
- Average molar mass
- 244.95 g/mol
- Monoisotopic mass
- 243.9281244
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,2-Dichloroperfluorocyclopentene
- IUPAC
- 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene
- English name
- 1,2-Dichlorohexafluorocyclopentene
- Molecular formula
- C5Cl2F6
- Molecular weight
- 244.95
Names & synonyms
1,2-DichloroperfluorocyclopenteneRefChem:718671,2-Dichlorohexafluorocyclopentene706-79-61,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopenteneCyclopentene-261,2-Dichlorohexafluoro-1-cyclopenteneCYCLOPENTENE, 1,2-DICHLOROHEXAFLUORO-Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-1,2-Dichlorohexafluorocyclopentene-1EINECS 211-895-41,2-dichloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene
Show more names
FC-C-1416c-CFO-1416Hexafluoro-1,2-Dichloro-1-CyHEXAFLUORODICHLOROCYCLOPENTENE1,2-dichlorohexafluoro-cyclopenten
NSC 41877BRN 2053012TU5ZEW9Z5E4-05-00-00213 (Beilstein Handbook Reference)MFCD00019302NSC-41877Hexafluoro-1,2-dichloro-1-cyclopentene1,2-Dichlorohexafluorocyclopent-1-ene
Database identifiers
- CAS
706-79-6- PubChem CID
- 12815
- DTXSID
DTXSID0061038- UNII
- TU5ZEW9Z5E
- EC Number
- 211-895-4
- Nikkaji
- J103.138D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesComposition
Physical DescriptionColorless liquid; Boiling point = 90 deg C; Not miscible or difficult to mix in water; [MSDSonline]
Physicochemical properties
- Melting point
- -105.8 °C · -105.8 °C
- Boiling point
- 90 °C · 90 °C (lit.)
- Density
- 1.635 g/mL · 1.635 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.37(lit.)
- Flash point
- 230 °F · >230 °F
- form
- liquid
- color
- Clear
- BRN
- 2053012 · 2053012
- InChI
- 1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
- InChIKey
- ABPBVCKGWWGZDP-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (95.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazards Summary
After ingestion in lethal-dose animal studies, causes convulsions and fatty liver degeneration; [RTECS] An irritant; Harmful if swallowed; Toxic by inhalation; Effects in high-dose animal studies include convulsions, ataxia, liver injury, and kidney injury; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 3 (95.6%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLCLo (rat) = 2,000 ppm/1h
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-: INACTIVE
Applications
Uses1,2-Dichlorohexafluorocyclopentene may be used to synthesize:inverse diarylperfluorocyclopentenesfluoro-bisthienylcyclopentenes (F-BTCs)1,1-dichlorooctafluorocyclopentane1,2-dichlorooctafluorocyclopentane
General Description1,2-Dichlorohexafluorocyclopentene is a halogenated cyclopentene derivative.
Upstream & downstream products
Downstream products
Related reactions
11 records
Compound notes
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