2338-12-7

Basic information

• Product Name: 5-NITROBENZOTRIAZOLE
• Synonyms: 1H-Benzotriazole, 6-nitro-;5-nitro-1h-benzotriazol;5-Nitrobenzo-1,2,3-triazole;5-Nitrobenzotriazol;6-nitro-1h-benzotriazol;6-nitro-1h-benzotriazole;5-NITROBENZOTRIAZOLE;5-Nitro-1H-benzotriazole
• CAS NO: 2338-12-7
• Molecular Formula: C6H4N4O2
• Molecular Weight: 164.12
• EINECS: 219-047-5
• Mol File: 2338-12-7.mol
• Article Data: 14

Chemical Properties

• Melting Point: 206-207°
• Boiling Point: 291.56°C (rough estimate)
• Flash Point: 191.3°C
• Appearance: /
• Density: 1.5129 (rough estimate)
• Vapor Pressure: 2.25E-06mmHg at 25°C
• Refractive Index: 1.6900 (estimate)
• PKA: 6.62±0.40(Predicted)
• CAS DataBase Reference: 5-NITROBENZOTRIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-NITROBENZOTRIAZOLE(2338-12-7)
• EPA Substance Registry System: 5-NITROBENZOTRIAZOLE(2338-12-7)

Safety Data

• Statements: 3-8
• Safety Statements: 16-17-36/37/39
• RIDADR: 385
• HazardClass: IRRITANT
• Hazardous Substances Data: 2338-12-7(Hazardous Substances Data)

Usage

General Description

5-Nitrobenzotriazole is a chemical compound with the molecular formula C6H4N4O2. It is a yellow crystalline solid that is used as a reagent in organic synthesis, particularly in the field of explosives and propellants. 5-Nitrobenzotriazole is highly reactive and is known for its explosive properties, making it a potential hazard in handling and storage. It is also used as a corrosion inhibitor for copper and its alloys. Additionally, it has application in the textile industry as a dye intermediate. Due to its potential hazards, proper safety precautions and handling procedures should always be followed when working with 5-Nitrobenzotriazole.

InChI:InChI=1/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)

Upstream product

• 7697-37-2 nitric acid 
• 64-19-7 acetic acid 
• 95-54-5 1,2-diamino-benzene 
• 136969-59-0 1-(5-Nitro-benzotriazol-1-yl)-propan-1-ol 
• 136969-61-4 1-(6-Nitro-benzotriazol-1-yl)-propan-1-ol 
• 136969-60-3 1-(5-Nitro-benzotriazol-2-yl)-propan-1-ol 
• 95-14-7 1,2,3-Benzotriazole 
• 99-56-9 4-Nitrophenylene-1,2-diamine 

Downstream Products

• 36793-96-1 2-methyl-5-nitro-2H-benzotriazole 
• 25877-34-3 1-methyl-5-nitro-1H-benzo[d][1,2,3]triazole 
• 107786-80-1 methyl 4-(6-aminobenzotriazol-1-ylmethyl)-3-methoxybenzoate 
• 107753-88-8 methyl 4-<<6-(2-cyclopentylacetamido)benzotriazol-1-yl>methyl>-3-methoxybenzoate 
• 107753-90-2 N-[4-[6-(2-cyclopentylacetamido)benzotriazol-1-ylmethyl]-3-methoxybenzoyl]benzenesulphonamide 
• 107753-89-9 4-<<6-(2-cyclopentylacetamido)benzotriazol-1-yl>methyl>-3-methoxybenzoic acid 
• 130787-14-3 N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-benzamide 
• 130787-15-4 4-Chloro-N-(2-cyclopentyl-2H-benzotriazol-5-yl)-benzamide 
• 130787-16-5 N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-4-methoxy-benzamide 
• 130787-22-3 N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-4-methyl-benzenesulfonamide 
• 130787-19-8 3,4-Dichloro-N-(2-cyclopentyl-2H-benzotriazol-5-yl)-benzamide 
• 130787-24-5 2-cyclopentyl-5-(p-aminobenzensulfonamido)benzotriazole 
• 130787-17-6 N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-4-trifluoromethyl-benzamide 
• 130787-18-7 N-(2-Cyclopentyl-2H-benzotriazol-5-yl)-4-nitro-benzamide 

Relevant articles and documents

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New N-nitrosoamines 2. Transformations of tetrahydro-1,3-oxazines into nitrates of N-nitrosoamino alcohols

The reactions of HNO3 with tetrahydro-1,3-oxazines 1a-c produced by aminomethylation of diketopiperazine, isatin, and succinimide, respectively, afforded nitrates of amino alcohols [RCH2NH2(CH 2)3ONO

Tert -Butyl nitrite mediated nitrogen transfer reactions: Synthesis of benzotriazoles and azides at room temperature

A conversion of o-phenylenediamines into benzotriazoles was achieved at room temperature using tert-butyl nitrite. The optimized conditions are also well suited for the transformation of sulfonyl and acyl hydrazines into corresponding azides. This protocol does not require any catalyst or acidic medium. The desired products were obtained in excellent yields in a short span of time.

Facile synthesis of benzotriazole derivatives using nanoparticles of organosilane-based nitrite ionic liquid immobilized on silica and two room-temperature nitrite ionic liquids

Nanoparticles of organosilane-based nitrite ionic liquid immobilized on silica, 1-butyl-3-methylimidazolium nitrite, and 1-(3-trimethoxysilylpropyl)-3- methylimidazolium nitrite were used as effective reagents for the preparation of benzotriazole derivatives from 1,2-diaminobenzenes at room temperature under mild solvent-free conditions. These ionic liquids play as nitrosonium sources in this procedure.1,2-Diaminobenzene derivatives have been treated with ionic liquids to give the related diaminobenzenes in very good to excellent yields in short reaction times. Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications for the full experimental and spectral details.