7-Amino-1,3-benzoxazol-2(3H)-one

Basic Information

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CAS Number

81282-60-2

Molecular Formula

C7H6N2O2

Molecular Weight

150.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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Nc1cccc2[nH]c(=O)oc12

InChI

InChI=1S/C7H6N2O2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,8H2,(H,9,10)

InChIKey

CLCPWTXGFUIRJE-UHFFFAOYSA-N

LogP

0.7033

Topological Polar Surface Area

72.02000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

7-Aminobenzo[d]oxazol-2(3H)-one
7-Amino-2-benzoxazolone
7-Amino-1,3-benzoxazol-2(3H)-one
2(3H)-Benzoxazolone,7-amino-(9CI)
7-Amino-2,3-dihydro-2-oxo-1,3-benzoxazole
7-Amino-2(3H)-benzoxazolone
7-Amino-2-benzoxazolinone
7-amino-3H-1,3-benzoxazol-2-one
7-amino-3H-benzooxazol-2-one
7-Amino-benzoxazolon
7-Amino-2-hydroxybenzoxazole

MDL Number

MFCD09753616

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 7-Amino-1,3-benzoxazol-2(3H)-one (CAS: 81282-60-2)?

7-Amino-1,3-benzoxazol-2(3H)-one is a crystalline solid with a molecular weight of approximately 182.21 g/mol. It has a solubility of about 1.2 g/L in water and is slightly soluble in organic solvents. This compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions.

How is 7-Amino-1,3-benzoxazol-2(3H)-one (CAS: 81282-60-2) typically synthesized?

7-Amino-1,3-benzoxazol-2(3H)-one can be synthesized via the condensation of benzaldehyde with hydrazine, followed by the oxidation of the intermediate hydrazide. Common catalysts include acid and base conditions. The overall yield is typically around 70-80%, with good selectivity for the desired product.

What industries use 7-Amino-1,3-benzoxazol-2(3H)-one (CAS: 81282-60-2)?

7-Amino-1,3-benzoxazol-2(3H)-one finds applications in pharmaceuticals, where it serves as a precursor for the synthesis of various drugs. It is also used in the production of sensors and as a component in certain polymers. Additionally, it plays a role in the development of semiconductor materials.

What precautions should be taken when handling 7-Amino-1,3-benzoxazol-2(3H)-one (CAS: 81282-60-2)?

When handling 7-Amino-1,3-benzoxazol-2(3H)-one, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood. In case of spills, absorb with dry sand or vermiculite and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures.