CAS 90-16-4

1,2,3-Benzotriazin-4(3H)-one

Description:

1,2,3-Benzotriazin-4(3H)-one, with the CAS number 90-16-4, is a heterocyclic organic compound characterized by its triazine ring fused to a benzene ring. This compound typically appears as a crystalline solid and is known for its stability and relatively low solubility in water, while being more soluble in organic solvents. It exhibits a range of chemical properties, including the ability to participate in various reactions due to the presence of the triazine moiety, which can act as a nucleophile or electrophile depending on the reaction conditions. 1,2,3-Benzotriazin-4(3H)-one is often utilized in the synthesis of dyes, pharmaceuticals, and agrochemicals, owing to its potential biological activity. Additionally, it can serve as a building block in organic synthesis, contributing to the development of more complex molecular architectures. Safety data indicates that, like many organic compounds, it should be handled with care, using appropriate safety measures to avoid exposure.

Formula: C₇H₅N₃O

InChI: InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)

InChI key: InChIKey=DMSSTTLDFWKBSX-UHFFFAOYSA-N

SMILES: O=C1C=2C(NN=N1)=CC=CC2

Synonyms:

• 1,2,3-benzotriazin-4(1H)-one
• 1,4-Dihydro-1,2,3-benzotriazin-4-one
• 1H-1,2,3-Benzotriazin-4-one
• 1H-Benzo[d][1,2,3]triazin-4-one
• 3,4-Dihydro-1,2,3-benzotriazin-4-one
• 3,4-Dihydro-4-oxo-1,2,3-benzotriazine
• 4-Ketobenz-1,2,3-triazine
• 4-Ketobenzo-1,2,3(3H)-triazine
• Benzazimide
• Benzazimidone
• Benzo-1,2,3-triazin-4(3H)-one
• BenzotriazinHone
• NSC 13563
• NSC 20121
• benzo[d][1,2,3]triazin-4(3H)-one
• 1,2,3-Benzotriazin-4(3H)-one

Benzo[d][1,2,3]triazin-4(3H)-one

CAS: 90-16-4

Formula: C₇H₅N₃O

Purity: 96%

Color and Shape: Solid

Molecular weight: 147.1341

Ref: IN-DA003IHI

1,2,3-Benzotriazin-4(3H)-one

CAS: 90-16-4

1,2,3-Benzotriazin-4(3H)-one

Formula: C₇H₅N₃O

Purity: ≥95%

Color and Shape: off-white to yellow solid

Molecular weight: 147.13g/mol

Ref: 54-OR28692

3,4-Dihydro-4-oxo-1,2,3-benzotriazine

CAS: 90-16-4

Formula: C₇H₅N₃O

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light gray to Light orange powder to crystal

Molecular weight: 147.14

Ref: 3B-K0003

1,2,3-Benzotriazin-4(3H)-one

CAS: 90-16-4

Applications 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.
References Caliendo, G., et al.: Bioorg. Med. Chem., 8, 533 (2000); Kar, A., et al.: Pharmazie, 35, 466 (1980)

Formula: C₇H₅N₃O

Color and Shape: Neat

Molecular weight: 147.13

Ref: TR-B206930

4-Ketobenztriazine

CAS: 90-16-4

Formula: C₇H₅N₃O

Purity: 96%

Molecular weight: 147.137

Ref: 10-F018763

1,2,3-Benzotriazin-4(3H)-one

CAS: 90-16-4

1,2,3-Benzotriazin-4(3H)-one is a molecule that belongs to the class of anthranilic acid derivatives. It is a competitive inhibitor of hydrogen chloride in the reaction mechanism for the conversion of methyl anthranilate to piperazine. The bioassay showed that it inhibits the growth of an organism at a concentration of 10 μg/mL. This molecule has been shown to be effective against Staphylococcus aureus and Helicobacter pylori.
A molecular modeling study was conducted on 1,2,3-benzotriazin-4(3H)-one and it was found that this molecule binds to the enzyme's active site by hydrogen bonding with the phosphate group on its target protein. This binding prevents substrate binding to the enzyme and inhibits its activity.

Formula: C₇H₅N₃O

Purity: Min. 95%

Molecular weight: 147.13 g/mol

Ref: 3D-AAA09016