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Merck

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)
Y C Seow et al.
Lab on a chip, 12(19), 3810-3815 (2012-08-14)
This paper presents a planar optofluidic lens for light manipulation utilizing a combination of optofluidic biconvex lens with micromixer. Three light manipulation techniques including tunable optical diverging, collimating and focusing are realized by altering the refractive index of the optofluidic
Pramod K Sahu et al.
European journal of medicinal chemistry, 54, 366-378 (2012-06-12)
A novel, one-pot, simple, efficient procedure for 4H-pyrimido[2,1-b]benzothiazole (4a-h), pyrazole (6a-d) and benzylidene (7a-d) derivatives of curcumin under solvent and solvent free conditions in microwave with good yield is have been synthesized. The synthesized compounds were evaluated for their antibacterial
Belal H M Hussein et al.
European journal of medicinal chemistry, 51, 99-109 (2012-03-20)
New complexes with a potent DNA-binding anti-tumor agent, europium(III)- and terbium(III)-2-thioacetate benzothiazole were synthesized and characterized. These complexes showed strong binding affinity to calf thymus DNA using fluorometric and electronic absorption spectroscopy. The synthesized complexes resulted in inhibition of proliferation
Liang-Hua Zou et al.
Chemical communications (Cambridge, England), 48(92), 11307-11309 (2012-10-18)
A convenient transition metal-free procedure for the direct thiolation of 1,3,4-oxadiazole C-H bonds using diaryl disulfides has been developed. Other substrates including indole, benzothiazole, N-phenylbenzimidazole, and caffeine were also thiolated in this manner, providing the corresponding products in good to
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