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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:
95-16-9
Molecular Weight:
135.19
Beilstein:
109468
EC Number:
202-396-2
MDL number:
MFCD00005775
UNSPSC Code:
12352100
PubChem Substance ID:
24846538
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
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311,H319,H332

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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
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
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