1,2,4-Benzotriazine

Base Information

• Chemical Name: 1,2,4-Benzotriazine
• CAS No.: 254-87-5
• Molecular Formula: C7H5 N3
• Molecular Weight: 131.137
• European Community (EC) Number: 205-967-4
• NSC Number: 45057
• UNII: LVD8Y2BT9E
• DSSTox Substance ID: DTXSID60180054
• Nikkaji Number: J193.692A
• Wikidata: Q27117347
• Metabolomics Workbench ID: 55748
• Mol file: 254-87-5.mol

Synonyms:1,2,4-Benzotriazine;1,2,4-Benzotriazene;254-87-5;LVD8Y2BT9E;EINECS 205-967-4;NSC-45057;1,2,4-triazanaphthalene;1,4-Benzotriazine;NSC45057;UNII-LVD8Y2BT9E;SCHEMBL88615;CHEBI:38011;DTXSID60180054;NSC 45057;AKOS024385449;Q27117347

Chemical Property of 1,2,4-Benzotriazine

Chemical Property:

• Vapor Pressure: 0.0656mmHg at 25°C
• Boiling Point: 238.4°C at 760 mmHg
• Flash Point: 105.6°C
• Density: 1.27g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.048347172
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CN=N2

Technology Process of 1,2,4-Benzotriazine

There total 32 articles about 1,2,4-Benzotriazine 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: 58.0%

benzo[e][1,2,4]triazine-1-oxide (59323-44-3) → 1,2,4-benzotriazene (254-87-5)

Guidance literature:

With sodium dithionite; In ethanol; water; for 2.5h; Reflux;

DOI:10.1021/tx400356y

Reference yield: 55.0%

benzo[e][1,2,4] triazine-3-carbonitrile → 1,2,4-benzotriazene (254-87-5)

Guidance literature:

With hydrogenchloride; In water; at 70 ℃;

DOI:10.1021/acs.joc.9b00716

Reference yield: 33.0%

3-chloro-1,2,4-benzotriazine 1-oxide (67692-91-5) → 1,2,4-benzotriazene (254-87-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; for 2h; under 3102.97 Torr;

DOI:10.1002/mrc.1886

upstream raw materials:

benzo[e][1,2,4]triazine-3-carboxylic acid

N-Formyl-N'-(o-nitrophenyl)hydrazine

N,N'-diphenylformazan

N-Formyl-N'-(o-aminophenyl)hydrazine

Downstream raw materials:

1,2,3-Benzotriazole

benzo[e][1,2,4]triazine-1-oxide

Refernces

• 1、 Shen, Xiulong,Rajapakse, Anuruddha,Gallazzi, Fabio,Junnotula, Venkatraman,Fuchs-Knotts, Tarra,Glaser, Rainer,Gates, Kent S.. "Isotopic labeling experiments that elucidate the mechanism of DNA strand cleavage by the hypoxia-selective antitumor agent 1,2,4-benzotriazine 1,4-Di- N -oxide". . p. 111 - 118. Retrieved 2014/02/14.
• 2、 Riedl, Zsuzsanna,Hajós, Gy?rgy,Peláez, Walter J.,Gafarova, Ioulia T.,Moyano, Elizabeth L.,Yranzo, Gloria I.. "Flash vacuum pyrolysis (F.V.P.) of 1,2,4-benzotriazine derivatives". . p. 851 - 856. Retrieved 2007/10/03.