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1H-Benzotriazole-5-carboxylic acid

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CAS:60932-58-3
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1H-Benzotriazole-5-carboxylic acid Basic information
Product Name:1H-Benzotriazole-5-carboxylic acid
Synonyms:5-CARBOXYL BENZOTRIAZOLE;5-CARBOXYBENZOTRIAZOLE;1-H-BENZOTRIAZOLECARBOXYLIC ACID;1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID;BUTTPARK 98\57-27;COBRATEC(R) CBT;OTAVA-BB BB7117850639;ZERENEX E/6026513
CAS:60932-58-3
MF:C7H5N3O2
MW:163.13
EINECS:262-527-4
Product Categories:
Mol File:60932-58-3.mol
1H-Benzotriazole-5-carboxylic acid Structure
1H-Benzotriazole-5-carboxylic acid Chemical Properties
InChIInChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)
InChIKeyGUOVBFFLXKJFEE-UHFFFAOYSA-N
SMILESN1C2=CC=C(C(O)=O)C=C2N=N1
CAS DataBase Reference60932-58-3(CAS DataBase Reference)
EPA Substance Registry System1H-Benzotriazolecarboxylic acid (60932-58-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26
WGK Germany 3
MSDS Information
ProviderLanguage
SigmaAldrich English
1H-Benzotriazole-5-carboxylic acid Usage And Synthesis
UsesUsed as an intermediate for organic synthesis.
Synthesis1H-Benzotriazole-5-carboxylic acid was formed of carboxytriazole (3.91 g, 24 mmol), 4-dimethylaminopyridine (0.32 g, 2.6 mmol), dimethylformamide (58 g) andatert-butyl methyl ether (46 g) solution of ZTETRAOL 2000s produced by the SOLVAY SOLEXIS company (Mn of 1730 for Rf(F)=-CF2O (CF2CF2O)m(CF2O)nCF2-) (13.26 g, 6.0 mmol) which had four terminal hydroxyl groups, as a perfluoropolyether were added sequentially to a three-necked flask which had been fitted with a nitrogen bubbling tube and a stirrer. 1-Ethy3- (3-dimethylaminopropyl)carboxylmide hydrochloride (4.60 g, 24 mmol) was added at room temperature and stirred for 24 hours at 50°C. Water (60 g) and methyl isobutyl ketone (60 g) were added to the reaction solution and the liquid was partitioned. The organic layer was washed two or three times with 1% hydrochloric acid aqueous solution (50 g) and saturated salt water (50 g) and then dried with anhydrous sodium sulphate and concentrated and 1H-Benzotriazole-5-carboxylic acid was obtained. Yield (10.1 g).
1H-Benzotriazole-5-carboxylic acid Preparation Products And Raw materials
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