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253782

Sigma-Aldrich

4-Chlorophenyl isothiocyanate

99%

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About This Item

Linear Formula:
ClC6H4NCS
CAS Number:
2131-55-7
Molecular Weight:
169.63
Beilstein/REAXYS Number:
471610
EC Number:
218-358-3
MDL number:
MFCD00004810
UNSPSC Code:
12352100
PubChem Substance ID:
24855328
NACRES:
NA.22

assay

99%

bp

135-136 °C/24 mmHg (lit.)

mp

42-44 °C (lit.)

SMILES string

Clc1ccc(cc1)N=C=S

InChI

1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChI key

MZZVFXMTZTVUFO-UHFFFAOYSA-N

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Application

4-Chlorophenyl isothiocyanate has been used in the synthesis of thiosemicarbazides. It was also used as building block for the synthesis of N-alkylated 2-arylaminobenzimidazoles.

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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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Synthesis and anti-HIV activity of new chiral 1, 2, 4-triazoles and 1, 3, 4-thiadiazoles.
Akhtar T, et al.
Heteroatom Chem., 18(3), 316-322 (2007)
A solid phase traceless synthesis of 2-arylaminobenzimidazoles.
Krchnak V, et al.
Tetrahedron Letters, 42(9), 1627-1630 (2001)
Efficacy of p-chlorophenylisothiocyanate (Sch 20350) against parasites of ruminants and horses.
E Panitz et al.
The Journal of parasitology, 67(6), 964-964 (1981-12-01)

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