Methyl 5-bromo-2-chloro-3-methoxybenzoate

Basic Information

View in Editor

CAS Number

697762-67-7

Molecular Formula

C9H8BrClO3

Molecular Weight

279.52 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

View in Editor

COC(=O)c1cc(Br)cc(c1Cl)OC

InChI

InChI=1S/C9H8BrClO3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3

InChIKey

IEMDCTKBMXAVHF-UHFFFAOYSA-N

LogP

2.8977000000000013

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

212

Synonyms & References

English

2-氯-3-甲氧基-5-溴苯甲酸甲酯
Methyl 5-bromo-2-chloro-3-methoxybenzoate
Methyl 2-chloro-3-methoxy-5-bromobenzoate
Benzoic acid, 5-bromo-2-chloro-3-methoxy-, methyl ester
AMY41167
XCB76267
Methyl5-bromo-2-chloro-3-methoxybenzoate
SY042737
F52735

MDL Number

MFCD29919371

FAQ

What are the physical and chemical properties of Methyl 5-bromo-2-chloro-3-methoxybenzoate (CAS: 697762-67-7)?

Methyl 5-bromo-2-chloro-3-methoxybenzoate is a crystalline solid with a molecular weight of approximately 321.04 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It has a melting point around 80-82°C.

How is Methyl 5-bromo-2-chloro-3-methoxybenzoate (CAS: 697762-67-7) typically synthesized?

Methyl 5-bromo-2-chloro-3-methoxybenzoate is commonly synthesized through a series of reactions starting from 3-methoxybenzoic acid. The process involves bromination, followed by chlorination, and esterification using methanol. The reaction conditions typically include the use of aluminum bromide and aluminum chloride as catalysts, with high yields and good selectivity.

What industries use Methyl 5-bromo-2-chloro-3-methoxybenzoate (CAS: 697762-67-7)?

Methyl 5-bromo-2-chloro-3-methoxybenzoate is primarily used in the pharmaceutical industry for the synthesis of intermediates. It also has applications in the polymer industry, where it can serve as a precursor for the production of specialized polymers. Additionally, it is used in the sensor and semiconductor industries for the fabrication of certain electronic components.

What precautions should be taken when handling Methyl 5-bromo-2-chloro-3-methoxybenzoate (CAS: 697762-67-7)?

When handling Methyl 5-bromo-2-chloro-3-methoxybenzoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and laboratory coat. Work must be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be ventilated. The safety data sheet (SDS) should be consulted for detailed emergency response procedures.