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Merck
CN

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

Key Documents

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Product Name

Benzothiazole, 96%

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

InChI

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

SMILES string

c1ccc2scnc2c1

vapor density

4.66 (vs air)

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.)

Quality Level

100

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Application

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

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
SDBB0482
STBL1565
STBK8203
STBK1793
STBJ9366

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Bulletin of the Chemical Society of Japan, 61, 3637-3637 (1988)
Ahmed Kamal et al.
Bioorganic & medicinal chemistry, 20(11), 3480-3492 (2012-05-01)
A series of chalcone-amidobenzothiazole conjugates (9a-k and 10a,b) have been synthesized and evaluated for their anticancer activity. All these compounds exhibited potent activity and the IC(50) of two potential compounds (9a and 9f) against different cancer cell lines are in
Thanh Binh Nguyen et al.
Angewandte Chemie (International ed. in English), 53(50), 13808-13812 (2014-10-10)
The disproportionation of elemental sulfur at moderate temperatures is investigated in the redox condensation involving o-halonitrobenzenes 1 and benzylamines 2. As a redox moderator, elemental sulfur plays the dual role of both electron donor and acceptor, generating its lowest and
Britt-Marie Swahn et al.
Bioorganic & medicinal chemistry letters, 22(13), 4332-4337 (2012-06-01)
The synthesis and SAR of new β-amyloid binding agents are reported. Evaluation of important properties for achieving good signal-to-background ratio is described. Compounds 27, 33, and 36 displayed desirable lipophilic and pharmacokinetic properties. Compound 27 was further evaluated with autoradiographic
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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