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530336

Sigma-Aldrich

Benzothiazole-6-carboxylic acid

96%

Synonym(s):

1,3-Benzothiazole-6-carboxylic acid, Benzo[d]thiazole-6-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C8H5NO2S
CAS Number:
3622-35-3
Molecular Weight:
179.20
MDL number:
MFCD00111651
UNSPSC Code:
12352100
PubChem Substance ID:
24877741
NACRES:
NA.22

Assay

96%

mp

245-251 °C (lit.)

functional group

carboxylic acid

SMILES string

OC(=O)c1ccc2ncsc2c1

InChI

1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)

InChI key

DMPZJACLHDWUFS-UHFFFAOYSA-N

General description

Benzothiazole-6-carboxylic acid (BTCA) is a benzothiazole derivative.

Application

Benzothiazole-6-carboxylic acid may be used in the synthesis of N-(pyridin-4-yl)benzo[d]thiazole-6-carboxamide, which shows the potential to inhibit K1 capsule formation in uropathogenic Escherichia coli. It may also be used as an internal standard during the quantification of benzothiazoles by liquid chromatography-electrospray ionization-tandem mass spectrometry.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL7171
BCCJ6900
BCCG7740
BCCD6344
BCCC4900

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James W. Noah et al.
Probe Reports from the NIH Molecular Libraries Program, 2012 Dec 17 (Updated 2013 Apr 5) (2013-07-09)
Uropathogenic
Yoshihiro Sawada et al.
Pest management science, 59(1), 25-35 (2003-02-01)
The N'-benzoyl group of N-tert-butyl-N'-benzoyl-3,5-dimethylbenzohydrazide (1) was converted to a series of benzoheterocyclecarbonyl groups in order to investigate the potential usefulness of superimposing a hydrazine insecticide on 20-hydroxyecdysone. A series of analogues with benzodioxole, benzodioxane, benzodioxapine, indole, benzoxazole, benzoxazine or
Stefan Weiss et al.
Analytical chemistry, 77(22), 7415-7420 (2005-11-16)
The first method for the determination of commonly used corrosion inhibitors in environmental water samples by liquid chromatography-electrospray ionization-tandem mass spectrometry is presented. Benzotriazole (BTri) and the two isomers of tolyltriazole (5- and 4-TTri) are separated in an isocratic run.

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