3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

Base Information

• Chemical Name: 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one
• CAS No.: 28230-32-2
• Molecular Formula: C7H5N3O2
• Molecular Weight: 163.136
• Hs Code.: 29339900
• European Community (EC) Number: 248-916-1
• NSC Number: 279266
• UNII: Z5000NB5EL
• DSSTox Substance ID: DTXSID10182487
• Nikkaji Number: J236.202C
• Wikidata: Q72483285
• Mol file: 28230-32-2.mol

Synonyms:3-hydroxy-1,2,3-benzotriazin-4(3H)-one;HODHBt

Chemical Property of 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

Chemical Property:

• Appearance/Colour: slight yellow crystal
• Vapor Pressure: 1.85E-05mmHg at 25°C
• Melting Point: 184-189 °C
• Refractive Index: n20/D 1.476
• Boiling Point: 348.7 °C at 760 mmHg
• PKA: 7.78±0.20(Predicted)
• Flash Point: 164.7 °C
• PSA: 68.01000
• Density: 1.58 g/cm³
• LogP: 0.02880
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 163.038176411
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

HOOBT;3-Hydroxy-1,2,3-benzotriazin-4(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,E,Xi
• Statements: 20/21-36/37/38-2-1-61
• Safety Statements: 53-26-35-36/37-45-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

There total 13 articles about 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one 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: 75.0%

anthranilic hydroxamic acid (5623-04-1) → 3-hydroxy-3,4-dihydrobenzotriazine-4-one (28230-32-2)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 20 ℃; for 1 - 2h;

Reference yield:

C10H16N2O2Si → 3-hydroxy-3,4-dihydrobenzotriazine-4-one (28230-32-2)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 4 ℃; for 0.5h; Yield given;

DOI:10.1055/s-1990-27078

Reference yield:

Sulfinamide Anhydride of Anthranilic Acid (60941-84-6) → 3-hydroxy-3,4-dihydrobenzotriazine-4-one (28230-32-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene / 12 h / Ambient temperature

2: 12 N HCl, NaNO₂ / H₂O / 0.5 h / 4 °C

With hydrogenchloride; sodium nitrite; In water; benzene;

DOI:10.1055/s-1990-27078

upstream raw materials:

anthranilic hydroxamic acid

2-carbomethoxyaniline

Sulfinamide Anhydride of Anthranilic Acid

3-benzotriazin-4-one-N-oxyl radical

Downstream raw materials:

3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl 3-maleimidobenzoate

4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-yl)-benzoic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl ester

4-(2,5-Dioxo-2,5-dihydro-pyrrol-1-ylmethyl)-cyclohexanecarboxylic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl ester

O,O-Bis-(3,4-dihydro-4-oxobenzotriazin-3-yl) S-4-chlorobenzyl dithiophosphate