Methyl 2-methyl-1,3-benzoxazole-5-carboxylate

Basic Information

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CAS Number

136663-21-3

Molecular Formula

C10H9NO3

Molecular Weight

191.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

66-68°C

Boiling Point

286.7°Cat760mmHg

Density

1.243

Flash Point

127.2°C

Refractive Index

1.578

SMILES

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CC1=NC2=C(O1)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C10H9NO3/c1-6-11-8-5-7(10(12)13-2)3-4-9(8)14-6/h3-5H,1-2H3

InChIKey

UFLDNRAXHGPDOD-UHFFFAOYSA-N

LogP

1.92282

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

231

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5-Benzoxazolecarboxylicacid,2-methyl-,methyl ester
UFLDNRAXHGPDOD-UHFFFAOYSA-N
5-Benzoxazolecarboxylic acid, 2-methyl-, methyl ester
SCHEMBL9181228
DTXSID00478780
Methyl 2-methylbenzo[d]oxazole-5-carboxylate
EA-0862
CS-0037533
FT-0680950
EN300-1663620
AM803180
J-522049
Z1201624168
136663-21-3
MFCD07774245
AKOS005072370
Methyl 2-Methyl-1,3-benzoxazole-5-carboxylate
5-Benzoxazolecarboxylicacid, 2-methyl-, methyl ester
METHYL 2-METHYL-1,3-BENZOXAZOLE-5-CARBOXYLATE

MDL Number

MFCD07774245

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3)?

Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3) falls under various regulatory guidelines, including the Globally Harmonized System (GHS) for Classification and Labeling of Chemicals, which requires specific hazard communication on labels and safety data sheets. It is also regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, requiring companies to provide detailed information on the substance's properties and potential risks. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have their own regulations concerning the handling, storage, and disposal of this chemical.

Are there alternatives to Methyl 2-methyl-1,3-benzoxazole-5-carboxylate in synthesis?

Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3) can be synthesized using various alternatives, including other benzoxazole derivatives, such as ethyl benzoxazole-5-carboxylate or benzimidazole. Common alternative reagents include substituted anilines and acyl chlorides. These alternatives can offer similar functionalities but with different reactivity profiles and synthetic pathways, making them suitable for specific applications.

What is the market or research trend for Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3)?

The market trend for Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3) reflects growing interest in its use as a versatile building block in organic synthesis and pharmaceuticals. Research is increasingly focusing on its application in the development of novel drug molecules and materials science. Additionally, there is a trend towards exploring its use in polymer chemistry and as a chelating agent. Market dynamics suggest an increasing demand, particularly in the pharmaceutical and chemical industries, driven by its unique properties and diverse applications.

How should waste containing Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3) be handled?

Waste containing Methyl 2-methyl-1,3-benzoxazole-5-carboxylate (CAS: 136663-21-3) should be managed according to local regulations and environmental protection guidelines. It is advisable to collect waste liquid in appropriate containers and neutralize acidic or basic solutions before disposal. For solid waste, ensure it is correctly labeled and stored in a secure location, away from incompatible materials. Incineration is a common method for disposal, but it should be conducted by a licensed waste management facility. Safe handling and disposal practices are crucial to prevent environmental contamination and ensure compliance with regulatory standards.