Hexafluoro-2-butyne

HCID 69654

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Basic information

CAS: 692-50-2
Standard SMILES: FC(F)(F)C#CC(F)(F)F
InChIKey: WBCLXFIDEDJGCC-UHFFFAOYSA-N
Molecular formula: C4F6
Average molar mass: 162.03 g/mol
Monoisotopic mass: 161.99041897

Names & identifiers

Preferred name: Hexafluoro-2-butyne
IUPAC: 1,1,1,4,4,4-hexafluorobut-2-yne
English name: HEXAFLUORO-2-BUTYNE
Molecular formula: C4F6
Molecular weight: 162.03

Names & synonyms

Hexafluoro-2-butyne692-50-22-Butyne, 1,1,1,4,4,4-hexafluoro-2-Butyne, hexafluoro-EINECS 211-732-7Hexafluorobutyne-2CF3C.$.CCF3DTXSID3061003Perfluoro2butyneRefChem:146002DTXCID10464712Butyne, hexafluoro (6CI,7CI)

Show more names

butyne06CF3CequivCCF3HexafluorobutynePerfluoro-2-butynehexafluoro-2-butynHexafluorobut-2-yne99%

1,1,1,4,4,4Hexafluoro2butyne1,1,1,4,4,4Hexafluorobut2yne2-Butyne, hexafluoro-(6CI,7CI)UN31602Butyne, 1,1,1,4,4,4hexafluoroWBCLXFIDEDJGCC-UHFFFAOYSA-NHexafluorobut-2-yne1,1,1,4,4,4-Hexafluorobut-2-yne

Database identifiers

CAS: 692-50-2
PubChem CID: 69654
DTXSID: DTXSID3061003
EC Number: 211-732-7
Nikkaji: J110.717H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 117 °C · −117 °C(lit.)
Boiling point: 25 °C · −25 °C(lit.)
Density: 1 · 1,602 g/cm3
vapor pressure: 105 psi · 105 psi ( 20 °C)
refractive index: 1.281 · 1.2810 (estimate)
Flash point: -36 ℃ · -36℃
CAS DataBase Reference: 692 · 692-50-2(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Butyne, 1,1,1,4,4,4-hexafluoro- (692-50-2)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 280 · H280-H331
Precautionary statements: 261 · P261-P311-P410+P403
Hazard Codes: F+,T,F
Risk Statements: 12 · 12-23
Safety Statements: 16 · 16-33-45
RIDADR: 3160 · UN 3160 2.3
WGK Germany: 3 · 3
RTECS: 702500 · ES0702500
Hazard Note: Toxic
TSCA: TSCA listed
HazardClass: 2.3 · 2.3
Excepted Quantities: Forbidden