1,3-Benzoxazol-4-ol

Basic Information

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CAS Number

89590-22-7

Molecular Formula

C7H5NO2

Molecular Weight

135.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

183 ºC (ethanol )

Boiling Point

270.0±13.0 ºC (760 Torr),

Density

1.378±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

117.1±19.8 ºC,

Refractive Index

1.664

SMILES

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C1=CC(=C2C(=C1)OC=N2)O

InChI

InChI=1S/C7H5NO2/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H

InChIKey

MGQPBXGHGXFKJW-UHFFFAOYSA-N

LogP

1.5333999999999999

Topological Polar Surface Area

46.260000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

129

Synonyms & References

English

Benzooxazol-4-ol
1,3-BENZOXAZOL-4-OL
4-Benzoxazolol
4-Hydroxybenzoxazole
1,3-benzoxazol-4-ol(SALTDATA: FREE)
4-hydroxybenzooxazole
benzoxazol-4-ol
1,3-Benzoxazol-4-ol
DTXSID70547593
AS-56797
Z1198170499
DB-345511
SCHEMBL646093
4-Hydroxy-benzoxazol
AKOS006292890
MFCD06795900
EN300-6740254
F17479
CS-0029720
benzo[d]oxazol-4-ol
1,3-benzoxazol-4-ol
benzooxazol-4-ol
SY274445
DTXCID50498377
benzooxazol-4-ol, AldrichCPR
89590-22-7

MDL Number

MFCD06795900

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 1,3-Benzoxazol-4-ol (CAS: 89590-22-7)?

1,3-Benzoxazol-4-ol (CAS: 89590-22-7) is classified as a non-ignitable liquid by the United Nations' GHS system. It is subject to the EU's REACH regulations, requiring registration for quantities above one tonne per annum. FDA and EPA may also require specific handling and disposal guidelines depending on its intended use, especially if it is involved in pharmaceutical or pesticide applications.

Are there alternatives to 1,3-Benzoxazol-4-ol (CAS: 89590-22-7) in synthesis?

There are several alternatives to 1,3-Benzoxazol-4-ol (CAS: 89590-22-7) in synthesis, including 1,3-benzothiazol-4-ol, 1,3-benzimidazol-4-ol, and other substituted benzoxazoles. These alternatives can be used depending on the desired properties, such as higher reactivity or better solubility, and are often chosen based on the specific reaction conditions and product requirements.

What is the market or research trend for 1,3-Benzoxazol-4-ol (CAS: 89590-22-7)?

The market and research trends for 1,3-Benzoxazol-4-ol (CAS: 89590-22-7) are growing due to its applications in pharmaceuticals, agrochemicals, and as an intermediate in organic synthesis. Recent research focuses on its potential as a bioactive compound and its use in developing new drug candidates. The increasing demand for environmentally friendly chemicals may also drive further research into its synthesis and applications.

How should waste containing 1,3-Benzoxazol-4-ol (CAS: 89590-22-7) be handled?

Waste containing 1,3-Benzoxazol-4-ol (CAS: 89590-22-7) should be collected in appropriate containers designed for chemical waste and stored in a well-ventilated area away from heat sources and ignition. It should be neutralized if necessary, and then disposed of via incineration or professional waste disposal services. Proper protective equipment should be worn during handling, and disposal should comply with local and national regulations to minimize environmental impact.