Methyl 2-bromo-4-methylbenzoate

Basic Information

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CAS Number

87808-49-9

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

264.8℃ at 760 mmHg

SMILES

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COC(=O)c1ccc(C)cc1Br

InChI

InChI=1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3

InChIKey

DJTUYAFJAGLQCK-UHFFFAOYSA-N

LogP

2.5441200000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Synonyms & References

English

Methyl 2-bromo-4-methylbenzoate
methyl2-bromo-4-methylbenzoate
Benzoic acid, 2-bromo-4-methyl-, methyl ester
2-BROMO-4-METHYLBENZOIC ACID METHYL ESTER
PubChem14035
KSC495M0H
DJTUYAFJAGLQCK-UHFFFAOYSA-N
CL8527
AB16571
AM62254
TRA0046788
EN000132
BC003821
SY021309
AB0027208
methyl 2-bromo-4-methylbenzoate
2-Bromo-4-methylbenzoic acid methyl ester

MDL Number

MFCD03840737

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9)?

Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9) falls under the scope of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and is regulated by REACH in the European Union. In the United States, it is subject to FDA and EPA regulations for safety and environmental impact. Compliance with these guidelines is crucial for manufacturers, importers, and handlers to ensure proper handling, storage, and disposal.

Are there alternatives to Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9) in synthesis?

There are alternative reagents that can be used in synthetic processes, such as methyl 2-methyl-4-bromobenzoate or methyl 2-chloro-4-methylbenzoate. These compounds can serve similar functions in various reactions, providing flexibility in chemical synthesis. However, the choice of alternative reagents depends on the specific reaction conditions and desired product properties.

What is the market or research trend for Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9)?

The market for Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9) has shown steady growth due to its use in pharmaceutical and agrochemical industries. Research trends indicate an increasing focus on developing safer and more sustainable chemical processes. Emerging studies are exploring its applications in new drug discovery and crop protection, which may further drive market demand.

How should waste containing Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9) be handled?

Waste containing Methyl 2-bromo-4-methylbenzoate (CAS: 87808-49-9) should be collected in appropriate containers and stored under ambient conditions. Proper incineration or professional waste disposal methods should be used for disposal. Environmental protection measures include minimizing the release of brominated compounds during handling and disposal to prevent contamination of soil and water. Strict adherence to local regulations is essential to ensure safe waste management.