1,2,3-BENZOTRIAZIN-4(3H)-ONE Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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

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.