Methyl 2-bromo-4-methoxybenzoate

Basic Information

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CAS Number

17100-65-1

Molecular Formula

C9H9BrO3

Molecular Weight

245.07 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

SMILES

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COC1=CC(=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C9H9BrO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3

InChIKey

MGIYCRUAYQQSNL-UHFFFAOYSA-N

LogP

2.2443

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

184

Synonyms & References

English

Methyl 2-bromo-4-methoxybenzoate
2-Brom-4-methoxy-benzoesaeure-methylester
2-bromo-4-methoxy-benzoic acid methyl ester
Methyl2-bromo-4-methoxybenzoate
MGIYCRUAYQQSNL-UHFFFAOYSA-N
RP28679
SY101881
2-Bromo-4-methoxybenzoic acid methyl ester
ST24047686
V3754
methyl 2-bromo-4-methoxybenzoate

MDL Number

MFCD12026001

Customs Code

2918990090

FAQ

What regulatory guidelines apply to Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1)?

Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) falls under the strict regulatory guidelines of the REACH regulations for chemical substances, which require registration and evaluation. Additionally, it is classified under GHS (Globally Harmonized System of Classification and Labeling of Chemicals) and may require specific handling and storage instructions based on its hazardous properties. FDA and EPA regulations also apply for products and formulations containing this compound.

Are there alternatives to Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) in synthesis?

Alternatives to Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) in synthesis include using isomers or analogs such as 2-bromo-4-methoxybenzoic acid. Other common reagents like methyl 2-chloro-4-methoxybenzoate can also be considered as substitutes depending on the specific reaction conditions and desired product characteristics.

What is the market or research trend for Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1)?

The market for Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its use as an intermediate in drug synthesis and as a fungicide. Due to its specific properties, it is also being explored in environmental and industrial applications. The demand is expected to grow with ongoing research into new uses and formulations.

How should waste containing Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) be handled?

Waste containing Methyl 2-bromo-4-methoxybenzoate (CAS: 17100-65-1) should be collected in appropriate containers, ensuring it does not contaminate other waste streams. The waste should then be properly incinerated or disposed of through a professional chemical waste management service. Environmental protection precautions include ensuring no spillage and proper labeling of waste drums. Compliance with local and national regulations is essential for safe waste disposal.