Ethyl 2-(bromomethyl)benzoate

Basic Information

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CAS Number

7115-91-5

Molecular Formula

C10H11BrO2

Molecular Weight

243.1 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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CCOC(=O)C1=CC=CC=C1CBr

InChI

InChI=1S/C10H11BrO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2,7H2,1H3

InChIKey

RDEWTAHSEKSPPT-UHFFFAOYSA-N

LogP

2.7582000000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Synonyms & References

English

Ethyl 2-bromomethylbenzoate
AS-47080
SCHEMBL1468126
F11922
FT-0655962
7115-91-5
RDEWTAHSEKSPPT-UHFFFAOYSA-N
AC-25617
AKOS015917467
AMY13661
Ethyl 2-(bromomethyl)benzoate
N-(4-ETHOXYPHENYL)MALEAMICACID
ethyl alpha-bromo-o-toluate
DTXSID70452673
2-bromomethyl-benzoic acid ethyl ester
MFCD08235262
ethyl o-bromomethylbenzoate
2-(Ethoxycarbonyl)benzyl bromide
2-Bromomethylbenzoic Acid Ethyl Ester
BB 0257728
ethyl a-bromo-o-toluate
A9338
ethyl 2-(bromomethyl)benzoate
2-(bromomethyl)benzoic acid ethyl ester
2-carboethoxybenzylbromide
o-Toluicacid, a-bromo-, ethyl ester(6CI,7CI,8CI)
Ethyl o-(bromomethyl)benzoate
Ethyl a-bromo-o-toluate
o-(Bromomethyl)benzoic acid ethyl ester
a-Bromo-o-toluic acid ethyl ester

MDL Number

MFCD08235262

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 2-(bromomethyl)benzoate (CAS: 7115-91-5)?

Ethyl 2-(bromomethyl)benzoate is a white crystalline solid with a molecular weight of approximately 253.02 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is also prone to hydrolysis under basic conditions.

How is Ethyl 2-(bromomethyl)benzoate (CAS: 7115-91-5) typically synthesized?

Ethyl 2-(bromomethyl)benzoate is commonly synthesized via the reaction of ethyl benzoate with bromine in the presence of a Lewis acid catalyst such as aluminum bromide. The reaction involves the substitution of a methyl group on the benzene ring with a bromomethyl group, yielding a high yield of the desired product with good selectivity.

What industries use Ethyl 2-(bromomethyl)benzoate (CAS: 7115-91-5)?

Ethyl 2-(bromomethyl)benzoate finds applications in the pharmaceutical industry as an intermediate in the synthesis of various drug molecules. It is also used in the polymer industry as a monomer or modifier. Additionally, it has potential applications in the sensor and semiconductor industries due to its reactive properties.

What precautions should be taken when handling Ethyl 2-(bromomethyl)benzoate (CAS: 7115-91-5)?

Proper handling of Ethyl 2-(bromomethyl)benzoate requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat and moisture. In case of spill, it should be handled according to the Safety Data Sheet (SDS) guidelines, which include the use of appropriate absorbents and disposal methods. Always ensure the use of a fume hood when handling the compound to prevent inhalation.