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About This Item

Empirical Formula (Hill Notation):
C7H4ClNS
CAS Number:
Molecular Weight:
169.63
Beilstein/REAXYS Number:
116316
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

assay

99%

form

liquid

refractive index

n20/D 1.637 (lit.)

bp

141 °C/30 mmHg (lit.)

mp

21-23 °C (lit.)

density

1.303 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

Clc1nc2ccccc2s1

InChI

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

InChI key

BSQLQMLFTHJVKS-UHFFFAOYSA-N

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Application

2-Chlorobenzothiazole was used in the synthesis of:
  • (RS)- and (S)-lubeluzole
  • (1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives
  • 4H-thieno[2′,3′:4,5]pyrimido[2,1-b]benzothiazole derivatives

pictograms

Skull and crossbonesEnvironment

signalword

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves


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