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Key Documents

332895

Sigma-Aldrich

Trichloromethanesulfenyl chloride

≥96%

Synonym(s):

Perchloromethyl mercaptan

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About This Item

Linear Formula:
CCl3SCl
CAS Number:
Molecular Weight:
185.89
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

6.41 (vs air)

Quality Level

vapor pressure

2.02 psi ( 20 °C)

assay

≥96%

form

liquid

refractive index

n20/D 1.537 (lit.)

bp

146-148 °C (lit.)

density

1.7 g/mL at 25 °C (lit.)

SMILES string

ClSC(Cl)(Cl)Cl

InChI

1S/CCl4S/c2-1(3,4)6-5

InChI key

RYFZYYUIAZYQLC-UHFFFAOYSA-N

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Application

Trichloromethanesulfenyl chloride was used in the preparation of:
  • trichloromethanesulfenyl acetate and trichloromethanesulfenyl trifluoroacetate via heterogeneous reaction with silver acetate and silver trifluoroacetate
  • trichloromethyl disulfides
  • alkyl orthocarbonates
  • trithiocarbonates

pictograms

Skull and crossbonesCorrosion

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Some reactions of trichloromethanesulfenyl chloride with alcohols and thiols.
Islam NB, et al.
Journal of Chemical and Engineering Data, 30(4), 509-512 (1985)
Lin Du et al.
The journal of physical chemistry. A, 111(23), 4944-4949 (2007-05-22)
Two novel species, trichloromethanesulfenyl acetate, CCl(3)SOC(O)CH(3), and trichloromethanesulfenyl trifluoroacetate, CCl(3)SOC(O)CF(3), have been generated in situ by the heterogeneous reactions between trichloromethanesulfenyl chloride, CCl(3)SCl, and corresponding silver salts, silver acetate (AgOC(O)CH(3)) and silver trifluoroacetate (AgOC(O)CF(3)), respectively. Photoelectron spectroscopy and quantum chemical

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