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253782

4-Chlorophenyl isothiocyanate

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About This Item

Linear Formula:
ClC6H4NCS
CAS Number:
2131-55-7
Molecular Weight:
169.63
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855328
EC Number:
218-358-3
Beilstein/REAXYS Number:
471610
MDL number:
MFCD00004810
Assay:
99%
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Quality Segment

assay

99%

bp

135-136 °C/24 mmHg (lit.)

mp

42-44 °C (lit.)

functional group

chloro, isothiocyanate

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

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

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

PPE (personal protective equipment)

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

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