23814-12-2

Basic information

• Product Name: Benzotriazole-5-carboxylic acid
• Synonyms: BUTTPARK 98\57-27;COBRATEC(R) CBT;BENZOTRIAZOLE-5-CARBOXYLIC ACID;5-CARBOXYBENZOTRIAZOLE;5-CARBOXYL BENZOTRIAZOLE;1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID;1H-BENZOTRIAZOLE-5-CARBOXYLIC ACID;1-H-BENZOTRIAZOLECARBOXYLIC ACID
• CAS NO: 23814-12-2
• Molecular Formula: C₇H₅N₃O₂
• Molecular Weight: 163.13
• EINECS: 1312995-182-4
• Product Categories: Acids and Derivatives;Heterocycles;Carboxylic Acids;Carboxylic Acids;Fused Ring Systems;Benzotriazoles;Building Blocks;Heterocyclic Building Blocks
• Mol File: 23814-12-2.mol
• Article Data: 7

Chemical Properties

• Melting Point: 305 °C
• Boiling Point: 0°C
• Flash Point: 0°C
• Appearance: /
• Density: 1.617 g/cm³
• Vapor Pressure: 4.18E-09mmHg at 25°C
• Refractive Index: 1.763
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: slightly sol. in Dimethylformamide
• PKA: 3.47±0.30(Predicted)
• CAS DataBase Reference: Benzotriazole-5-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Benzotriazole-5-carboxylic acid(23814-12-2)
• EPA Substance Registry System: Benzotriazole-5-carboxylic acid(23814-12-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 23814-12-2(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 23814-12-2 differently. You can refer to the following data:
1. Benzotriazole-5-carboxylic acid (cas# 23814-12-2) is a useful research chemical.
2. Benzotriazole-5-carboxylic acid was used as bifunctional ligand in solvent induced synthesis of diverse dimensional coordination assemblies of cupric benzotriazole-5-carboxylate. It was also used in hydrothermal synthesis of new coordination polymer, [Zn(Btca)(Phen)]n (H2Btca = benzotriazole-5-carboxylic acid, Phen = 1,10-phenanthroline).

Chemical Properties

Earthy yellow powder

InChI:InChI=1/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)

Upstream product

• 136-85-6 5⁽⁶⁾-methylbenzotriazole 
• 67-56-1 methanol 
• 64-17-5 ethanol 
• 64-19-7 acetic acid 
• 67-64-1 acetone 
• 411211-57-9 3-nitro-4-ureido-benzoic acid 
• 305-80-6 4-diazobenzenesulfonic acid 
• 619-05-6 3,4-diaminobenzoic acid 
• 113053-50-2 1H-Benzotriazole-5-carboxylic acid methyl ester 
• 120778-04-3 1H-benzotriazole-5-carboxylic acid i-propyl ester 
• 120778-03-2 1H-benzotriazole-5-carboxylic acid n-propyl ester 
• 120778-06-5 1H-benzotriazole-5-carboxylic acid sec.-butyl ester 
• 120778-07-6 1H-benzotriazole-5-carboxylic acid i-butyl ester 
• 120778-05-4 1H-benzotriazole-5-carboxylic acid n-butyl ester 

Downstream Products

• 113053-50-2 1H-Benzotriazole-5-carboxylic acid methyl ester 
• 4546-95-6 1H-1,2,3-triazole-4,5-dicarboxylic acid 
• 337981-30-3 1H-benzotriazole-5-carboxylic acid [6-(tert-butyl-diphenyl-silanyloxy)-hexyl]-amide 
• 106429-67-8 (1H-benzo[d][1,2,3]triazol-5-yl)methanol 
• 24611-70-9 1H-benzo[d][1.2.3]triazole-5-carbonitrile 
• 1246639-64-4 3,5-dichlorobenzyl 4-{2-[(1H-benzotriazole-5-carbonyl)amino]-ethyl}piperazine-1-carboxylate 
• 1246965-91-2 6-(1H-benzotriazole-5-carbonyl)-2-[3-(4-chlorophenyl)-ureido]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid amide 
• 1246966-01-7 [2-(1H-benzotriazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]carbamic acid 3,5-dichlorobenzyl ester 
• 1246965-93-4 6-(1H-benzotriazole-5-carbonyl)-2-[2-(4-chloro-2-fluorophenyl)acetylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid amide 
• 1221403-28-6 C₂₄H₂₁N₅O₂ 
• 73605-91-1 1H-benzotriazole-5-carboxylic acid ethyl ester 
• 84902-17-0 5-phenoxycarbonylbenzotriazole 
• 875282-58-9 1H-benzotriazol-5-carboxylic acid amide 
• 337981-31-4 N-(4-methoxytrityl)-benzotriazoyl-5-carboxylic acid-(6-tertbutyl-diphenyl-silanyloxy-hexyl)-amide 

Relevant articles and documents

INDAZOLES AS LRRK2 INHIBITORS

The present invention is directed to indazole compounds which are inhibitors of LRRK2 and are useful in the treatment of CNS disorders.

The discovery of new scaffold of plant activators: From salicylic acid to benzotriazole

Started from salicylic acid (SA) and related commercialized plant activators, based on molecular three-dimensional shape and pharmacophore similarity comparison (SHAFTS), a new lead compound benzotriazole was predicted and a series of benzotriazole derivatives were designed and synthesized. The bioassay showed that benzotriazole had high activity against a broad spectrum of diseases including fungi and oomycetes in vivo, but no activity in vitro. And the introduction of proper groups at the 1’-position and 5’-position was beneficial to the activity. So, they had the potential to be exploited as novel plant activators.

Hydrolysis and oxidation of 1H-benzotriazole-carboxylic acid esters by rat liver microsomes

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