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Merck
CN

332895

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
NACRES:
NA.22
PubChem Substance ID:
24860088
UNSPSC Code:
12352100
EC Number:
209-840-4
MDL number:
MFCD00037054
Assay:
≥96%
Form:
liquid

Key Documents

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InChI key

RYFZYYUIAZYQLC-UHFFFAOYSA-N

InChI

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

SMILES string

ClSC(Cl)(Cl)Cl

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.)

functional group

chloro

Quality Level

100

Related Categories

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

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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

Regulatory Information

监管及禁止进口产品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBG9566V
SHBC4792V
SHBC9414V
22096LK
57296BK

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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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