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101338

Sigma-Aldrich

Benzothiazole

96%

Synonym(s):

1,3-Benzothiazole, Benzosulfonazole

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
Molecular Weight:
135.19
Beilstein/REAXYS Number:
109468
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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.)

SMILES string

c1ccc2scnc2c1

InChI

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

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

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Application

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

pictograms

Skull and crossbones

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_germany

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


Certificates of Analysis (COA)

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Bulletin of the Chemical Society of Japan, 61, 3637-3637 (1988)
Ruiqing Ni et al.
Brain : a journal of neurology, 136(Pt 7), 2217-2227 (2013-06-13)
Imaging fibrillar amyloid-β deposition in the human brain in vivo by positron emission tomography has improved our understanding of the time course of amyloid-β pathology in Alzheimer's disease. The most widely used amyloid-β imaging tracer so far is (11)C-Pittsburgh compound
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
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
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

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