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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:
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

Signal Word

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 Code

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

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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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)
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)
A solid phase traceless synthesis of 2-arylaminobenzimidazoles.
Krchnak V, et al.
Tetrahedron Letters, 42(9), 1627-1630 (2001)

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