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:
Molecular Weight:
179.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
Quality Segment
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.
signalword
Warning
hcodes
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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