Methyl 2-bromobenzoate

Basic Information

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CAS Number

610-94-6

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 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

Melting Point

252°C

Boiling Point

253°C

Density

1.532 g/mL at 25 °C

Refractive Index

n20/D 1.559(lit.)

SMILES

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COC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3

InChIKey

SWGQITQOBPXVRC-UHFFFAOYSA-N

LogP

2.2357000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

147

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 2-bromobenzoate, 98%
o-Bromobenzoic acid, methyl ester
610-94-6
Z19670137
AM20060690
Benzoic acid, 2-bromo-, methyl ester
EINECS 210-241-5
Methyl o-bromobenzoate
2-bromo-benzoic acid methyl ester
Methyl-2-bromobenzoate
NSC-7318
NS00034564
Benzoic acid, o-bromo-, methyl ester
methyl 2-bromanylbenzoate
STR07133
2-bromo-benzoic acid, methyl ester
methyl 2-bromo-benzoate
InChI=1/C8H7BrO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H
methyl-2-bromo benzoate
B0555
methyl-2-bromo-benzoate
MFCD00016328
methyl bromobenzoate
METHYL 2-BROMOBENZOATE
J-521972
2-bromobenzoic acid, methyl ester
NSC7318
SCHEMBL23659
Methyl2-Bromobenzoate
NSC 7318
DTXSID2060593

MDL Number

MFCD00016328

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 2-bromobenzoate (CAS: 610-94-6)?

Methyl 2-bromobenzoate (CAS: 610-94-6) is a crystalline compound with a molecular weight of approximately 217.02 g/mol. It is sparingly soluble in water but soluble in organic solvents such as ethanol and acetone. Chemically, it is less reactive compared to other brominated compounds but can undergo nucleophilic substitution reactions under certain conditions. Its melting point is around 60-64°C, and it is stable under normal laboratory conditions.

How is Methyl 2-bromobenzoate (CAS: 610-94-6) typically synthesized?

Methyl 2-bromobenzoate (CAS: 610-94-6) is typically synthesized through the reaction of 2-bromobenzoic acid with methanol in the presence of a strong acid catalyst, such as concentrated sulfuric acid. The reaction is exothermic and requires careful monitoring to prevent decomposition. The yield is generally around 70-80%, and the product is isolated by recrystallization from a suitable solvent.

What industries use Methyl 2-bromobenzoate (CAS: 610-94-6)?

Methyl 2-bromobenzoate (CAS: 610-94-6) is utilized in various industries. It is commonly used in the pharmaceutical sector for the synthesis of certain drug intermediates. Additionally, it finds applications in the polymer industry for the modification of polymer properties, and in the sensor and semiconductor industries for the development of functional materials.

What precautions should be taken when handling Methyl 2-bromobenzoate (CAS: 610-94-6)?

When handling Methyl 2-bromobenzoate (CAS: 610-94-6), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from heat sources and direct sunlight. Fume hoods should be used during handling to minimize inhalation risks. In the event of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.