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101338

Benzothiazole

96%

Synonym(s):

1,3-Benzothiazole, Benzosulfonazole

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
95-16-9
Molecular Weight:
135.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846538
EC Number:
202-396-2
Beilstein/REAXYS Number:
109468
MDL number:
MFCD00005775
Assay:
96%
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vapor density

4.66 (vs air)

Quality Level

100

vapor pressure

34 mmHg ( 131 °C)

assay

96%

refractive index

n20/D 1.642 (lit.)

bp

231 °C (lit.)

mp

2 °C (lit.)

density

1.238 g/mL at 25 °C (lit.)

SMILES string

c1ccc2scnc2c1

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

Application

Interesting carbonyl equivalent. Reacts with aldehydes or ketones to generate α-hydroxy carbonyl compounds.

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2

Storage Class

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

wgk

WGK 2

flash_point_f

224.6 °F - Pensky-Martens closed cup

flash_point_c

107 °C - Pensky-Martens closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB8332
SDBB0482
STBL1565
STBK8203
STBK1793

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Bulletin of the Chemical Society of Japan, 61, 3637-3637 (1988)
Seunghee Hong et al.
Journal of medicinal chemistry, 56(9), 3531-3545 (2013-04-23)
The existence of drug resistance caused by mutations in the break-point cluster region-Abelson tyrosine kinase (Bcr-Abl) kinase domain remains a clinical challenge due to limited effective treatment options for chronic myeloid leukemia (CML). Herein we report a novel series of
Mohd Zaheen Hassan et al.
European journal of medicinal chemistry, 58, 206-213 (2012-11-06)
A series of N-(substituted benzothiazol-2-yl)amide derivatives 2a-h and 4a-h were synthesized by the EDC coupling reactions of substituted-benzothiazol-2-amine with 4-oxo-4-phenylbutanoic acid/2-benzoyl benzoic acid and evaluated for their anticonvulsant and neuroprotective effect. N-(6-methoxybenzothiazol-2-yl)-4-oxo-4-phenylbutanamide (2f) emerged as the most effective anticonvulsant with
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Global Trade Item Number

SKUGTIN
101338-500G04061838667793
101338-5G04061838667809
101338-100G04061838667779