Benzothiazole-6-carboxylic acid , ≥96% , 3622-35-3

CAS NO.：3622-35-3

Empirical Formula: C8H5NO2S

Molecular Weight: 179.2

MDL number: MFCD00111651

PRODUCT Properties

• Melting point: 245-251 °C(lit.)
• Boiling point: 387.7±15.0 °C(Predicted)
• Density: 1.508±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• pka: 3.70±0.30(Predicted)
• form: Powder
• color: White to pale brown
• InChI: InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)
• InChIKey: DMPZJACLHDWUFS-UHFFFAOYSA-N
• SMILES: S1C2=CC(C(O)=O)=CC=C2N=C1
• CAS DataBase Reference: 3622-35-3(CAS DataBase Reference)

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-26 37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29339990