Hexafluorocyclobutene

HCID 12767

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Basic information

CAS: 697-11-0
Standard SMILES: FC1=C(F)C(F)(F)C1(F)F
InChIKey: QVHWOZCZUNPZPW-UHFFFAOYSA-N
Molecular formula: C4F6
Average molar mass: 162.03 g/mol
Monoisotopic mass: 161.99041897

Names & identifiers

Preferred name: Hexafluorocyclobutene
IUPAC: 1,2,3,3,4,4-hexafluorocyclobutene
English name: Hexafluorocyclobutene
Molecular formula: C4F6
Molecular weight: 162.03

Names & synonyms

Hexafluorocyclobutene697-11-01,2,3,3,4,4-HexafluorocyclobutenePerfluorocyclobuteneCYCLOBUTENE, HEXAFLUORO-TGC3HN2GMWDTXSID2073229RefChem:146006HFCB-F6DTXCID7046546211-803-2EINECS 211-803-2

Show more names

FC-C-1316hexafluoro-cyclobutenHexafluoro-1-cyclobuteneHexafluorocyclobutene97%Cyclobutene,1,2,3,3,4,4-hexafluoro-

BRN 20471584-05-00-00208 (Beilstein Handbook Reference)MFCD000394431,2,3,3,4,4-hexafluorocyclobut-1-enehexafluorocyclobut-1-eneCyclobutene, 1,2,3,3,4,4-hexafluoro-1,2,3,3,4,4-Hexafluoro-1-cyclobuteneUNII-TGC3HN2GMW

Database identifiers

CAS: 697-11-0
PubChem CID: 12767
DTXSID: DTXSID2073229
UNII: TGC3HN2GMW
EC Number: 211-803-2
Nikkaji: J48.591H

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

Physical DescriptionColorless liquefied gas; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -60 °C · -60°C
Boiling point: 5 · 5-6°C
Density: 1 · 1,602 g/cm3
refractive index: 1.298 · 1.2980
FDA UNII: 3 HN2GMW · TGC3HN2GMW
EPA Substance Registry System: Cyclobutene, hexafluoro- (697-11-0)
Hazard Codes: T,F
Risk Statements: 23 · 23
Safety Statements: 23 · 23-45
RIDADR: 3162 · 3162
Hazard Note: Toxic
HazardClass: 2.2 · 2.2

Safety & regulation

Hazard information

Hazards SummaryCauses other changes in olfaction and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] Toxic by inhalation; [Alfa Aesar MSDS] See Hexafluoroethane and Trifluoroethene.

Safety & protection

Exposure Control and Personal Protection · 1 item

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].