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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
Pricing and availability is not currently available.

Quality Level

200

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

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1 of 4

This Item
304239646989168653
Benzothiazole-6-carboxylic acid 96%

530336

Benzothiazole-6-carboxylic acid

Benzotriazole-5-carboxylic acid 99%

304239

Benzotriazole-5-carboxylic acid

6-Bromopyridine-3-carboxylic acid 96%

646989

6-Bromopyridine-3-carboxylic acid

2-(Methylthio)benzothiazole 97%

168653

2-(Methylthio)benzothiazole

Quality Level

200

Quality Level

-

Quality Level

100

Quality Level

100

mp

245-251 °C (lit.)

mp

-

mp

179-188 °C (lit.)

mp

43-46 °C (lit.)

functional group

carboxylic acid

functional group

carboxylic acid

functional group

bromo, carboxylic acid

functional group

-

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.[1] It may also be used as an internal standard during the quantification of benzothiazoles by liquid chromatography-electrospray ionization-tandem mass spectrometry.[2]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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    Certificates of Analysis (COA)

    Lot/Batch Number
    BCCG7740
    BCCD6344
    BCCC4900
    BCBW0712
    BCBV5609

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    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
    James W. Noah et al.
    Probe Reports from the NIH Molecular Libraries Program, 2012 Dec 17 (Updated 2013 Apr 5) (2013-07-09)
    Uropathogenic
    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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