1-Oxo-1lambda~5~,2,4-benzotriazine

Base Information

• Chemical Name: 1-Oxo-1lambda~5~,2,4-benzotriazine
• CAS No.: 59323-44-3
• Molecular Formula: C7H5N3O
• Molecular Weight: 147.136
• DSSTox Substance ID: DTXSID70509237
• Wikidata: Q82366663

Synonyms:59323-44-3;1-Oxo-1lambda~5~,2,4-benzotriazine;SCHEMBL615708;1,2,4-benzotriazine-N-oxide;1,2,4-Benzotriazine 1-oxide;DTXSID70509237;BNZPFJBUHRBLNB-UHFFFAOYSA-N

Chemical Property of 1-Oxo-1lambda~5~,2,4-benzotriazine

Chemical Property:

• Melting Point: 139-141 °C(Solv: ethyl acetate (141-78-6); dichloromethane (75-09-2))
• Boiling Point: 346.1±25.0 °C(Predicted)
• PSA: 51.24000
• Density: 1.39±0.1 g/cm3(Predicted)
• LogP: 1.05830
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 147.043261791
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98% ^*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=[N+]2[O-]

Technology Process of 1-Oxo-1lambda~5~,2,4-benzotriazine

There total 1 articles about 1-Oxo-1lambda~5~,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:

1,2,4-benzotriazene (254-87-5) → 1,2,3-Benzotriazole (95-14-7,27556-51-0) + benzo[e][1,2,4]triazine-1-oxide (59323-44-3)

Guidance literature:

With dihydrogen peroxide; In acetic acid; for 96h; Ambient temperature;

DOI:10.1016/0040-4020(82)80252-4

Reference yield: 70.0%

benzo[e][1,2,4]triazine-1-oxide (59323-44-3) → 1,2,4-benzotriazine-1,4-dioxide (121135-31-7)

Guidance literature:

With acetonitrile complex of hypofluorous acid; In dichloromethane; at 0 ℃;

DOI:10.1016/j.tet.2012.08.017

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

upstream raw materials:

1,2,4-benzotriazene

Downstream raw materials:

1,2,4-benzotriazine-1,4-dioxide

1,2,4-benzotriazene

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