371637

3-(Carboxymethyl)benzothiazolium bromide

96%

• Empirical Formula (Hill Notation): C₉H₈BrNO₂S
• CAS Number: 74385-09-4
• Molecular Weight: 274.13
• MDL number: MFCD00134360
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863120

Properties

• assay: 96%
• form: solid
• mp: 250 °C (dec.) (lit.)
• SMILES string: [Br-].OC(=O)C[n+]1csc2ccccc12
• InChI: 1S/C9H7NO2S.BrH/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10;/h1-4,6H,5H2;1H
• InChI key: UEINBJHBQWSAHA-UHFFFAOYSA-N

Description

General description

3-(Carboxymethyl)benzothiazolium bromide, a halogenated building block, is a thiazole derivative.3-(Carboxymethyl)benzothiazolium bromide (3-(carboxymethyl)-2-methylbenzothiazolium bromide) is a benzothiazolium salt.[1] Synthesis of 3-(carboxymethyl)benzothiazolium bromide has been reported.[1][1] It can be prepared by reacting 2-methylbenzothiazole with bromoacetic acid.[2]

Application

3-(Carboxymethyl)benzothiazolium bromide may be used in the synthesis of novel semisquarylium dye, via reaction with 3,4-dibutoxy-3-cyclobutene-1,2-dione.[1]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves