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332895

Sigma-Aldrich

Trichloromethanesulfenyl chloride

≥96%

Synonym(s):

Perchloromethyl mercaptan

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About This Item

Linear Formula:
CCl3SCl
CAS Number:
594-42-3
Molecular Weight:
185.89
EC Number:
209-840-4
MDL number:
MFCD00037054
UNSPSC Code:
12352100
PubChem Substance ID:
24860088
NACRES:
NA.22

vapor density

6.41 (vs air)

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
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H312,H314,H330

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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