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

Basic Information

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CAS Number

28230-32-2

Molecular Formula

C7H5N3O2

Molecular Weight

163.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

184-189 ºC

Boiling Point

290.19°C (rough estimate)

Refractive Index

n20/D 1.477

SMILES

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C1=CC=C2C(=C1)C(=O)N(N=N2)O

InChI

InChI=1S/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H

InChIKey

HJBLUNHMOKFZQX-UHFFFAOYSA-N

LogP

0.02879999999999988

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

229

Safety Information

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GHS Hazard Pictograms

H226

H312

H315

H319

H332

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EINECS 248-916-1
NSC279266
HOOBT
Z5000NB5EL
1,2,3-Benzotriazin-4(3H)-one, 3-hydroxy-
CS-0015278
A819380
3-Hydroxy-1,2,3-benzotriazin-4(3H)-one; 3 ,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine; 3-Hydroxy-3,4-dihydro-4-oxo-1,2,3-benzotriazine
3-hydroxy-1,2,3-benzotriazine-4-one
(4S)-4-Cyclohexyl-1-{[(RS)-2-methyl-1-(propionyloxy)propoxy]-(4-phenylbutyl)phosphinylacetyl}-L-prolinesodiumsalt
GS-3340
3-hydroxy-1,2,3-benzotriazin-4-(3H)-one
HJBLUNHMOKFZQX-UHFFFAOYSA-
3-hydroxy-1,2,3-benzotriazin-4-one
InChI=1/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H
3-Hydroxy-1,2,3-benzotruazin-4(3H)-one
3-HYDROXY-3H-BENZO[D][1,2,3]TRIAZIN-4-ONE
3-Hydroxy-1,2,3-benzotriazin-4(3H)-one, 98%
3-HYDROXY-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-4-ONE
3-Hydroxy-3,4-dihydro-4-oxo-1,2,3-benzotriazine
AM83837
SCHEMBL7446559
AKOS003388537
NS00049958
3-hydroxy-3H-[1,2,3]benzotriazin-4-one
3-Hydroxy-1,2,3-benzotriazin-4(3H)-one #
AC-7860
SCHEMBL8853999
3-hydroxy1,2,3-benzotriazin-4(3H)-one
4-oxo-3,4-dihydro-3-hydroxy-1,2,3-benzotriazine
3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

MDL Number

MFCD00042803

Customs Code

2933699090

FAQ

What are the physical and chemical properties of 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2)?

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2) is a white to off-white crystalline solid with a molecular weight of approximately 214.17 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is known for its moderate reactivity, particularly in condensation reactions and as a protective group in organic synthesis.

How is 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2) typically synthesized?

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2) is commonly synthesized via a condensation reaction between 1,3-dihydroxybenzene and urea. The process involves the use of concentrated sulfuric acid as a catalyst. The reaction is typically carried out in a closed vessel to maintain purity and yield is generally around 70-80%.

What industries use 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2)?

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2) is utilized in various industries including pharmaceuticals for the synthesis of certain drugs, polymers for enhancing properties, and as a protective group in organic synthesis. It also finds applications in sensors and semiconductors due to its stability and reactivity.

What precautions should be taken when handling 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2)?

When handling 3-Hydroxy-1,2,3-benzotriazin-4(3H)-one (CAS: 28230-32-2), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbents, and proper disposal methods should be followed as outlined in the Safety Data Sheet (SDS).