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530336

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
NACRES:
NA.22
PubChem Substance ID:
24877741
UNSPSC Code:
12352100
MDL number:
MFCD00111651
Assay:
96%
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Quality Segment

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

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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