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Cas Database

Name	Trifluoromethanesulphenyl chloride	EINECS	N/A
CAS No.	421-17-0	Density	1.573g/cm³
PSA	25.30000	LogP	2.39320
Solubility	N/A	Melting Point	N/A
Formula	CCl F3 S	Boiling Point	°Cat760mmHg
Molecular Weight	136.525	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Explosive reaction with chlorine fluorides. When heated to decomposition it emits toxic fumes of F⁻, Cl⁻, and SO_x. See also FLUORIDES.	Risk Codes	26-34
Molecular Structure		Hazard Symbols
Synonyms	Perfluoromethylsulfenylchloride; Trifluoromethanesulfenyl chloride; Trifluoromethylsulfenyl chloride;Trifluoromethylsulphenyl chloride	Article Data	57

Trifluoromethanesulphenyl chloride Synthetic route

: 7664-39-3
hydrogen fluoride

: 594-42-3
chlorothio-trichloro-methane

A: 421-17-0
Trifluoromethylsulfenyl chloride

B: 372-64-5
Bis(trifluoromethyl)disulfid

C: 358-15-6
Trifluoro-methanethiosulfonic acid S-trifluoromethyl ester

Conditions

Conditions	Yield
180°C; chrom oxide fluoride catalyst;	A 74% B n/a C n/a

: sodium fluoride

: 594-42-3
chlorothio-trichloro-methane

: 421-17-0
Trifluoromethylsulfenyl chloride

Conditions

Conditions	Yield
In further solvent(s) in tetramethylsulphone at 170-250°C;	47%
In acetonitrile 170-250°C;	47%
In acetonitrile 170-250°C;	47%
In further solvent(s) in tetramethylsulphone at 170-250°C;	47%
In acetonitrile 170-250°C;	47%

: potassium fluoride

: 993-38-4
chlorodifluoromethansulfenylchloride

A: 421-17-0
Trifluoromethylsulfenyl chloride

B: 17742-03-9
chlorodifluoromethanesulphenic acid fluoride

Conditions

Conditions	Yield
at 150°C;	A 25% B 5%
at 150°C;	A 25% B 5%

: 993-38-4
chlorodifluoromethansulfenylchloride

: 7783-56-4
antimony(III) fluoride

: 421-17-0
Trifluoromethylsulfenyl chloride

Conditions

Conditions	Yield
	11%
	11%

: 993-38-4
chlorodifluoromethansulfenylchloride

: 421-17-0
Trifluoromethylsulfenyl chloride

Conditions

Conditions	Yield
With antimonypentachloride; antimony(III) fluoride

: 372-64-5
Bis(trifluoromethyl)disulfid

: 421-17-0
Trifluoromethylsulfenyl chloride

Conditions

Conditions	Yield
With chlorine Irradiation.bei mehrtaegiger Bestrahlung mit UV-Licht;
With chlorine Irradiation (UV/VIS);
With chlorine Irradiation (UV/VIS);

: 1512-33-0
1,1,1-trifluoromethanesulfenylamine

A: 421-17-0
Trifluoromethylsulfenyl chloride

B S2Cl2, Cl3S3N3: S2Cl2, Cl3S3N3

Conditions

Conditions	Yield
With chlorine at -30℃; for 0.5h; Product distribution;

: 420-32-6
thiocarbonyl fluoride

: 7790-89-8
chlorine monofluoride

: 421-17-0
Trifluoromethylsulfenyl chloride

: sodium fluoride

: 594-42-3
chlorothio-trichloro-methane

A: 993-38-4
chlorodifluoromethansulfenylchloride

B: 421-17-0
Trifluoromethylsulfenyl chloride

: CF3SCNCFSSCF3

A: 421-17-0
Trifluoromethylsulfenyl chloride

B: 33278-65-8
trifluoromethylcarbamoyldisulfane

Conditions

Conditions	Yield
With hydrogenchloride; water byproducts: HF;
With HCl; H2O byproducts: HF;

Trifluoromethanesulphenyl chloride Chemical Properties

Trifluoromethanesulfonyl chloride(421-17-0)'s molecular formula is CClF₃S and its formula weight is 136.52.
Trifluoromethanesulfonyl chloride(421-17-0)'s chemical synonyms are Methanesulfenyl chloride, trifluoro-;Perfluoromethylsulfenyl chloride;perfluoromethylsulfenylchloride;trifluoro-methanesulfenylchlorid;trifluoromethanesulfenylchloride;trifluoromethane-sulfenylchloride;TRIFLUOROMETHYLSULFENYL CHLORIDE;TRIFLUOROMETHYLSULPHENYL CHLORIDE
The molecular structure of trifluoromethanesulfonyl chloride(421-17-0):

Trifluoromethanesulphenyl chloride Safety Profile

Explosive reaction with chlorine fluorides. When heated to decomposition it emits toxic fumes of F⁻, Cl⁻, and SO_x. See also FLUORIDES.
Hazard Codes T
Risk Statements 26-34
Safety Statements 23-24/25-26-36/37/39-45
RIDADR 3308
Hazard Note Highly Toxic/Lachrymatory

Trifluoromethanesulphenyl chloride Specification

Descriptors Computed from Structure
IUPAC Name: trifluoromethyl thiohypochlorite(421-17-0)
Canonical SMILES: C(F)(F)(F)SCl
InChI: InChI=1/CClF3S/c2-6-1(3,4)5

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