113053-50-2

Basic information

• Product Name: METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE
• Synonyms: 1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID METHYL ESTER;METHYL 1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE;METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE;1H-Benzotriazole-5-carboxylic acid methyl ester;Methyl 1H-benzotriazole-5-carboxylate, 98%;Methyl 1,2,3-benzotriazole-5-carboxylate,98%;Methyl 1H-benzo[d][1,2,3]triazole-5-carboxylate;Methyl benzotriazole-5-carboxylate
• CAS NO: 113053-50-2
• Molecular Formula: C₈H₇N₃O₂
• Molecular Weight: 177.16
• Product Categories: Esters;Fused Ring Systems
• Mol File: 113053-50-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 177-179°C
• Boiling Point: 349.3°Cat760mmHg
• Flash Point: 165.1°C
• Appearance: /
• Density: 1.403
• Vapor Pressure: 4.74E-05mmHg at 25°C
• Refractive Index: 1.658
• PKA: 7.46±0.40(Predicted)
• CAS DataBase Reference: METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE(113053-50-2)
• EPA Substance Registry System: METHYL 1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE(113053-50-2)

Safety Data

• Safety Statements: S24/25:Avoid contact with skin and eyes.
• Hazardous Substances Data: 113053-50-2(Hazardous Substances Data)

Usage

Chemical Properties

orange to brown powder

InChI:InChI=1/C8H7N3O2/c1-13-8(12)5-2-3-6-7(4-5)10-11-9-6/h2-4H,1H3,(H,9,10,11)

Upstream product

• 67-56-1 methanol 
• 23814-12-2 1h-benzotriazole-5-carboxylic acid 
• 1588-83-6 4-amino-3-nitrobenzoic acid 
• 3987-92-6 methyl 4-amino-3-nitrobenzoate 
• 36692-49-6 Methyl 3,4-diaminobenzoate 

Downstream Products

• 73605-91-1 1H-benzotriazole-5-carboxylic acid ethyl ester 
• 23814-12-2 1h-benzotriazole-5-carboxylic acid 
• 1196072-14-6 3-(4-(N,N-bis-(2-chloroethyl)amino)phenoxysulfonyl-(1-(2-hydroxyethyl)benzotriazol-6-yl-methyl))methyl-2-nitrothiophene 
• 1196073-34-3 TH-1454 
• 1158624-08-8 C₂₅H₃₁N₃O₄ 
• 1158624-10-2 C₂₅H₃₁N₃O₄ 
• 1158624-03-3 C₂₅H₃₃N₃O₄ 
• 1158624-05-5 C₂₅H₃₃N₃O₄ 
• 70938-42-0 1H-1,2,3-benzotriazole-5-carbaldehyde 

Relevant articles and documents

TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS HAVING A BENZOTRIAZOLE MOIETY, CONJUGATES THEREOF, AND METHODS AND USES THEREFOR

Compounds having a structure according to formula (I) where R1, R2, and R3 are as defined herein, are agonists for the Toll-like receptor 7 (TLR7) and can be used as adjuvants for stimulating the immune system. Some such compounds can be used in conjugates for targeted delivery to the organ or tissue of intended action.

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.