Methanesulfenyl chloride, trifluoro-

HCID 67900

Notes Reactions

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Basic information

CAS: 421-17-0
Standard SMILES: FC(F)(F)SCl
InChIKey: RQYLOOVORNJDQX-UHFFFAOYSA-N
Molecular formula: CClF3S
Average molar mass: 136.52 g/mol
Monoisotopic mass: 135.93613334

Names & identifiers

Preferred name: Methanesulfenyl chloride, trifluoro-
IUPAC: trifluoromethyl thiohypochlorite
English name: Trifluoromethylsulphenyl chloride
Molecular formula: CClF3S
Molecular weight: 136.52

Names & synonyms

421-17-0Methanesulfenyl chloride, trifluoro-Trifluoromethylsulfenyl chlorideTrifluoromethanesulfenyl chloridePerfluoromethylsulfenyl chlorideEINECS 207-003-8DTXSID4059962RefChem:156917DTXCID6040030RQYLOOVORNJDQX-UHFFFAOYSA-Ntrifluoromethylsulphenyl chloridetrifluoromethyl thiohypochlorite

Show more names

CF3S(O)ClTrifluoro(chlorothio)methanerifluoromethylthiohypochloriteperfluoromethylsulfenylchloridetrifluoromethanesulfenylchloridetrifluoro-methanesulfenylchloridRIFLUOROMETHYLSULPHENYL CHLORIDE

Trifluoromethanesulphenyl chlorideMethanesulfenylchloride, trifluoro-V7EVX6QGK4trifluoromethylthio chlorideSCHEMBL1156948trifluoromethane-sulfenyl chloridetrifluoromethane-sulphenyl chloride(Chlorosulfanyl)tri(fluoro)methane

Database identifiers

CAS: 421-17-0
PubChem CID: 67900
DTXSID: DTXSID4059962
UNII: V7EVX6QGK4
EC Number: 207-003-8
Nikkaji: J101.227D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 40.5

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: -3 °C · -3°C
Density: 1.573 · 1.573±0.06 g/cm3(Predicted)
Sensitive: Lachrymatory
EPA Substance Registry System: Methanesulfenyl chloride, trifluoro- (421-17-0)
Hazard Codes: T
Risk Statements: 26 · 26-34
Safety Statements: 23 · 23-24/25-26-36/37/39-45
RIDADR: 3308 · 3308
Hazard Note: Highly Toxic/Lachrymatory
TSCA: TSCA listed