Methyl 2-chloro-1,3-benzoxazole-4-carboxylate

Basic Information

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CAS Number

1007112-35-7

Molecular Formula

C9H6ClNO3

Molecular Weight

211.6 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)c1cccc2oc(Cl)nc12

InChI

InChI=1S/C9H6ClNO3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3

InChIKey

QXOMDXKTDOJUPP-UHFFFAOYSA-N

LogP

2.2678000000000003

Topological Polar Surface Area

52.33 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Synonyms & References

English

Methyl 2-chlorobenzo[d]oxazole-4-carboxylate
Methyl 2-chloro-1,3-benzoxazole-4-carboxylate
4-BENZOXAZOLECARBOXYLIC ACID, 2-CHLORO, METHYL ESTER

MDL Number

MFCD11111729

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7)?

Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7) is subject to the Reach regulation in the European Union, which requires manufacturers and importers to register substances with the European Chemicals Agency. It falls under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), with specific hazards such as skin and eye irritation. In the United States, the EPA may regulate it under the Toxic Substances Control Act (TSCA).

Are there alternatives to Methyl 2-chloro-1,3-benzoxazole-4-carboxylate in synthesis?

There are several alternatives to Methyl 2-chloro-1,3-benzoxazole-4-carboxylate in synthesis, such as methyl 2-bromo-1,3-benzoxazole-4-carboxylate or methyl 2-iodo-1,3-benzoxazole-4-carboxylate, which can serve as viable substitutes in certain reactions. These alternates can be used depending on the specific synthetic route and reactivity requirements.

What is the market or research trend for Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7)?

The market for Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7) is growing as it finds applications in pharmaceuticals and agrochemicals. Research trends indicate increasing interest in its use as a precursor for the synthesis of bioactive compounds and as an intermediate in drug development. Recent studies are exploring its potential in anti-inflammatory and antiviral drug candidates.

How should waste containing Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7) be handled?

Waste containing Methyl 2-chloro-1,3-benzoxazole-4-carboxylate (CAS: 1007112-35-7) should be collected in appropriate containers and stored separately. It should be disposed of by incineration or professional waste disposal services to minimize environmental impact. Proper protective equipment and safety measures must be taken during handling to prevent exposure and accidental release into the environment.