1,2-Benzoxazol-3-ylacetic acid

Basic Information

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CAS Number

4865-84-3

Molecular Formula

C9H7NO3

Molecular Weight

177.16 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

127.0 to 131.0 deg-C

Boiling Point

377.3 ℃ at 760 mmHg

Density

1.394

Flash Point

182°C

SMILES

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C1=CC=C2C(=C1)C(=NO2)CC(=O)O

InChI

InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12)

InChIKey

BVSIAYQIMUUCRW-UHFFFAOYSA-N

LogP

1.4548999999999999

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

207

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1,?2-?Benzisoxazol-?3-?ylacetic Acid
HMS556N01
4865-84-3
Oprea1_695883
AC-27285
EN300-14336
BVSIAYQIMUUCRW-UHFFFAOYSA-N
1,2-benzisoxazol-3yl-acetic acid
1,2-Benzisoxazole-3-acetic Acid
2-(1,2-benzoxazol-3-yl)acetic acid
1,2-benzoxazol-3-ylacetic acid
FT-0608352
MFCD02180388
CHEMBL3792472
SB37328
Z99600464
NSC179803
NVU
NSC 179803
BDBM50162495
A7347
SY026530
SR-01000634770-1
(1,2-Benzisoxazol-3-yl)acetic Acid
AC-22758
SCHEMBL75124
F2190-0005
AE-508/09521058
Maybridge1_005391
J-506217
CS-W017376

MDL Number

MFCD02180388

Customs Code

2934999090

FAQ

What is 1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3)?

1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) is a chemical compound with the molecular formula C8H7NO2. It is a derivative of acetic acid and contains a benzoxazole ring. This compound is used in pharmaceuticals and research as a precursor or intermediate for other drugs and biologically active compounds.

What are the main uses of 1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3)?

1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) is primarily used in the pharmaceutical industry as a building block for synthesizing drugs. It is also utilized in research for developing new chemical entities and as a reagent in organic synthesis.

Is 1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) safe?

1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) is generally considered safe when handled with appropriate precautions. However, it should be stored away from sources of ignition and kept in a cool, well-ventilated area. Protective equipment such as gloves and goggles should be worn during handling.

How should 1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) be stored?

1,2-Benzoxazol-3-ylacetic acid (CAS: 4865-84-3) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. It should be kept at room temperature or below and protected from humidity to prevent degradation. Ensure the container is properly labeled and stored in a secure location away from flammable materials.