3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide

Base Information

• Chemical Name: 3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide
• CAS No.: 6298-38-0
• Molecular Formula: C7H7BrN4O
• Molecular Weight: 241.047
• Hs Code.: 2933699090
• European Community (EC) Number: 667-559-6
• DSSTox Substance ID: DTXSID60405198
• Wikidata: Q82209630
• Mol file: 6298-38-0.mol

Synonyms:6298-38-0;3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide;3-AMINO-7-BROMO-1,2,4-BENZOTRIAZINE-1-OXIDE;3-Amino-7-bromo-1,2,4-benzotriazine1-oxide;3-amino-7-bromobenzo[e][1,2,4]triazine 1-oxide;SCHEMBL781713;7-bromo-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;DTXSID60405198;AKOS015998852;MB00334;FT-0751474;7-Bromo-1-oxo-1lambda~5~,2,4-benzotriazin-3-amine

Chemical Property of 3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide

Chemical Property:

• Vapor Pressure: 3.16E-08mmHg at 25°C
• Melting Point: 294-295 °C (decomp)
• Boiling Point: 404.5°Cat760mmHg
• PKA: 3.00±0.50(Predicted)
• Flash Point: 198.4°C
• PSA: 77.26000
• Density: 2.11g/cm³
• LogP: 1.98420
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 239.96467
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

3-AMINO-7-BROMO-1,2,4-BENZOTRIAZINE 1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)[N+](=NC(=N2)N)[O-]

Technology Process of 3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide

There total 9 articles about 3-Amino-7-bromo-1,2,4-benzotriazine 1-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

CYANAMID (420-04-2) + 4-Bromo-2-nitroaniline (875-51-4) → 7-bromo-1-oxido-1,2,4-benzotriazin-1-ium-3-amine (6298-38-0)

Guidance literature:

CYANAMID; 4-Bromo-2-nitroaniline; at 50 - 100 ℃;

With hydrogenchloride; In water; at 100 ℃; for 3h;

With sodium hydroxide; In water; at 100 ℃; for 1h;

Reference yield: 90.0%

CYANAMID (420-04-2) + 5-bromo-2-nitroaniline (5228-61-5) → 7-bromo-1-oxido-1,2,4-benzotriazin-1-ium-3-amine (6298-38-0)

Guidance literature:

With hydrogenchloride; water; for 8h; Reflux;

Reference yield: 22.0%

4-Bromo-2-nitroaniline (875-51-4) + disodium cyanamide (20611-81-8) → 7-bromo-1-oxido-1,2,4-benzotriazin-1-ium-3-amine (6298-38-0)

Guidance literature:

4-Bromo-2-nitroaniline; disodium cyanamide; at 100 ℃;

With hydrogenchloride; In water; at 100 ℃; for 2h;

With sodium hydroxide; In water; at 100 ℃; for 3.5h;

DOI:10.1002/jhet.2559

upstream raw materials:

CYANAMID

4-Bromo-2-nitroaniline

4-Bromo-1-fluoro-2-nitrobenzene

guanidine nitrate

Downstream raw materials:

7-(2,6-Dimethyl-phenyl)-benzo[1,2,4]triazin-3-ylamine

Refernces

• 1、 -. "COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE". Page/Page column 124. . Retrieved 2019/01/06.
• 2、 -. "SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS". Page/Page column 104. . Retrieved 2016/11/14.