1,2,3-BENZOTRIAZIN-4(3H)-ONE
- CAS NO.：90-16-4
- Empirical Formula: C7H5N3O
- Molecular Weight: 147.13
- MDL number: MFCD00052387
- EINECS: 201-971-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:22:46
What is 1,2,3-BENZOTRIAZIN-4(3H)-ONE?
Chemical properties
Tan powder. Soluble in alkaline solutions and organic bases.
The Uses of 1,2,3-BENZOTRIAZIN-4(3H)-ONE
1,2,3-Benzotriazin-4(3H)-one is part of a group of compounds that exhibit antimicrobial activity. 1,2,3-Benzotriazin-4(3H)-one is also used as a reagent to synthesize 1,2,3-Benzotriazin-4-one-arylpiperazine derivatives, compounds that act as Serotonin (HCl: S274980) receptor ligands.
The Uses of 1,2,3-BENZOTRIAZIN-4(3H)-ONE
Organic synthesis.
The Uses of 1,2,3-BENZOTRIAZIN-4(3H)-ONE
1,2,3-Benzotriazin-4(3H)one is used to prepare 3-methoxymethyl-3H-benzo[d][1,2,3]triazin-4-one by reacting with dimethoxymethane. Further, it undergoes thermal condensation with alfa-amino acids to give 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones. In addition to this, it is employed as a reagent to synthesize 1,2,3-bBenzotriazin-4-one-arylpiperazine derivatives.
Definition
Bicyclic.
General Description
1,2,3-Benzotriazin-4(3H)-one is an 1,2,3-benzotriazine derivative. 1,2,3-Benzotriazin-4(3H)-one undergoes thermal condensation with α-amino acids to yield 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones. 1,2,3-benzotriazin-4(3H)-one on thermolysis yields quinazolino[3,2-c][1,2,3]benzotriazin-8-one.
Safety Profile
Poison by intraperitoneal route.Experimental reproductive effects. When heated todecomposition it emits toxic fumes of NOx.
Properties of 1,2,3-BENZOTRIAZIN-4(3H)-ONE
| Melting point: | 216-218 °C (lit.) |
| Boiling point: | 282℃ |
| Density | 1.47 |
| refractive index | 1.5500 (estimate) |
| Flash point: | 125℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in most organic solvents. |
| form | Solid |
| pka | -4.67±0.20(Predicted) |
| color | Needles from cyclohexane |
| BRN | 124996 |
| CAS DataBase Reference | 90-16-4(CAS DataBase Reference) |
| EPA Substance Registry System | 1,2,3-Benzotriazin-4(1H)-one (90-16-4) |
Safety information for 1,2,3-BENZOTRIAZIN-4(3H)-ONE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1,2,3-BENZOTRIAZIN-4(3H)-ONE
| InChIKey | DMSSTTLDFWKBSX-UHFFFAOYSA-N |
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![3-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1,2,3-BENZOTRIAZIN-4(3H)-ONE](https://img.chemicalbook.in/StructureFile/ChemBookStructure4/GIF/CB0342674.gif)
![3-AMINO-3H-BENZO[D][1,2,3]TRIAZIN-4-ONE](https://img.chemicalbook.in/StructureFile/ChemBookStructure5/GIF/CB9740644.gif)
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