Methyl 5-bromo-2-(bromomethyl)benzoate

Basic Information

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CAS Number

79670-17-0

Molecular Formula

C9H8Br2O2

Molecular Weight

307.97 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

349.7℃ at 760 mmHg

SMILES

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COC(=O)C1=C(C=CC(=C1)Br)CBr

InChI

InChI=1S/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3

InChIKey

UVIJBFVFEGZZLQ-UHFFFAOYSA-N

LogP

3.130600000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

185

Synonyms & References

English

EN300-202844
Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester
SY108147
Methyl5-bromo-2-(bromomethyl)benzoate
FT-0743223
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER
Methyl 5-bromo-2-(bromomethyl)benzoate
MFCD11505949
Methyl 2-bromomethyl-5-bromobenzoate
AKOS016001498
AS-41912
UVIJBFVFEGZZLQ-UHFFFAOYSA-N
AB64112
AMY28905
SCHEMBL391759
methyl 4-bromo-alpha-bromo-2-toluate
A864825
DTXSID80513209
methyl 5-bromo-2-bromomethylbenzoate
methyl 4-bromo-alpha-bromo- 2-toluate
79670-17-0
5-Bromo-2-bromomethylbenzoic acid methyl ester
STL557842
2445AC
BBL104028
S
methyl 5-bromo-2-(bromomethyl)benzoate

MDL Number

MFCD11505949

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0)?

Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0) is a crystalline solid with a molecular weight of approximately 344.08 g/mol. It has low water solubility and high solubility in organic solvents such as acetone and chloroform. This compound is highly reactive and prone to undergoing substitution reactions under appropriate conditions.

How is Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0) typically synthesized?

Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0) is commonly synthesized via a two-step process. First, 5-bromo-2-hydroxymethylbenzoic acid is brominated to form the key intermediate, followed by esterification with methyl alcohol. The reaction typically proceeds with high selectivity and moderate yield, depending on the reaction conditions.

What industries use Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0)?

Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0) is primarily used in the pharmaceutical and polymer industries due to its reactivity. It serves as a key intermediate in various organic synthesis routes and is also explored for its potential in developing advanced materials and sensors.

What precautions should be taken when handling Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0)?

When handling Methyl 5-bromo-2-(bromomethyl)benzoate (CAS: 79670-17-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled with caution, using appropriate absorbents, and the area should be cleaned according to safety data sheet (SDS) guidelines. Storage should be in a cool, dry place away from incompatible materials.