2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene

HCID 9815

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Basic information

CAS: 400-44-2
Standard SMILES: FC(F)(F)C=C(Cl)C(F)(F)F
InChIKey: JRENXZBKMHPULY-UHFFFAOYSA-N
Molecular formula: C4HClF6
Average molar mass: 198.49 g/mol
Monoisotopic mass: 197.96709703

Names & identifiers

Preferred name: 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene
IUPAC: 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
English name: 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene
Molecular formula: C4HClF6
Molecular weight: 198.49

Names & synonyms

2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-2-Chloro-1,1,1,4,4,4-hexafluoro-2-buteneHalothane EP Impurity B(Z)-2-Chloro-1,1,1,4,4,4-hexafluoro-but-2-eneSCHEMBL32801DB-0495161,1,1,4,4,4-hexafluoro2-chloro-2-butene(EZ)-2-chloro-1,1,1,4,4,4-hexafluorobut- 2-ene (cis and trans)ChfbFC-1326MXZAsparagine Impurity 12 (D-Asparagine)2-Chloro-1,1,1,4,4,4-hexafluorobutene-2

Show more names

2-chloro-1,1,1,4,4,4-hexafluoro-2-buten2-CHLORO-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE1,1,1,4,4,4-Hexafluoro-2-chlorobut-2-ene1,1,1,4,4,4-Hexafluoro-2-chloro-2-butene2-Butene, 2-chloro-1,1,1,4,4,4-hexafluoro-

Database identifiers

CAS: 400-44-2
PubChem CID: 9815
DTXSID: DTXSID4073178

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 33 · 33-34°C
Density: 1 · 1,427 g/cm3
Flash point: °C
CAS DataBase Reference: 400 · 400-44-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 37 HHN7ZL · QU37HHN7ZL
EPA Substance Registry System: 2 · 2-Butene, 2-chloro-1,1,1,4,4,4-hexafluoro- (400-44-2)
Hazard Codes: F,T
Risk Statements: 12 · 12-23/24/25
Safety Statements: 9 · 9-16-33-36/37/39-45
RIDADR: 1992 · 1992
Hazard Note: Highly Toxic/Flammable
HazardClass: GAS, TOXIC, FLAMMABLE