1,2,3-BENZOTRIAZIN-4(3H)-ONE Chemical Properties

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

InChIKey

DMSSTTLDFWKBSX-UHFFFAOYSA-N

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

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

RTECS 

DM0800000

TSCA 

Yes

HazardClass 

IRRITANT

HS Code 

2933698090

Hazardous Substances Data

90-16-4(Hazardous Substances Data)

Toxicity

LD50 ipr-mus: 50 mg/kg NTIS** AD277-689

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1,2,3-BENZOTRIAZIN-4(3H)-ONE Usage And Synthesis

Chemical Properties

Tan powder. Soluble in alkaline solutions and organic bases.

Uses

Organic synthesis.

Uses

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.

Uses

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.

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.

1,2,3-BENZOTRIAZIN-4(3H)-ONE(90-16-4)Related Product Information

• Fmoc-O-tert-Butyl-L-serine 3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl ester
• DEPBT
• 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one
• AZINPHOS-ETHYL
• AZINPHOS-METHYL
• 1,2,3-BENZOTRIAZIN-4(3H)-ONE
• N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate
• Razinodil
• FMOC-THR(TBU)-ODHBT
• 3-(hydroxymethyl)-4-ketobenz-1,2,3-triazine
• Fmoc-Glu(OBut)-ODhbt
• Fmoc-Gly-ODhbt
• AZINPHOS-METHYL OXON
• Fmoc-Asp(OBut)-ODhbt
• 1,2,3-BENZOTRIAZIN-4(3H)-ONE, 6-BROMO-
• Molinazone
• 3-(4-BROMOBENZYL)-1,2,3-BENZOTRIAZIN-4(3H)-ONE
• 3-(1-Phenyl-1H-pyrazol-5-yl)-1,2,3-benzotriazin-4(3H)-one