Methyl 2-(4-bromophenyl)-2-methylpropanoate

Basic Information

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CAS Number

154825-97-5

Molecular Formula

C11H13BrO2

Molecular Weight

257.13 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

290 ºC

Flash Point

129 ºC

Refractive Index

1.522

SMILES

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

InChI

InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3

InChIKey

JTYDXPPFLQSEAQ-UHFFFAOYSA-N

LogP

2.899700000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

205

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-(4-bromophenyl)-2-methyl-propanoate
JTYDXPPFLQSEAQ-UHFFFAOYSA-N
CS-W018999
methyl 2-(4-bromophenyl)-2-methylpropanoate
A809575
BCP16336
2-(4-bromophenyl)-2-methylpropanoic acid methyl ester
FT-0648406
2-(4-Bromophenyl)-2-methyl-propionic acid methyle
MFCD02683357
METHYL2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE
4-Bromo-?,?-dimethyl-benzeneacetic acid methyl ester
FT-0671581
methyl 2-(4-bromo-phenyl)-2-methyl-propanoate
AKOS015835657
METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE
DTXSID80394676
methyl 2-(4-bromophenyl)-2,2-dimethylacetate, AldrichCPR
AMY40702
J-650309
J-521838
SY030557
Methyl 2-(4-Bromophenyl)-2-methylpropionate
154825-97-5
2-(4-Bromo-phenyl)-2-methyl-propionic acid methyl ester
TS-00822
SCHEMBL6628
2-(4-Bromophenyl)-2-methylpropionic acid methyl ester
Methyl 2-(4-bromophenyl)-2,2-dimethylacetate
Benzeneacetic acid,4-bromo-a,a-dimethyl-, methyl ester
P-Bromo-a,a-DimethylPhenylacetic

MDL Number

MFCD02683357

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5)?

Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5) is a white crystalline solid with a molecular weight of approximately 262.03 g/mol. It is slightly soluble in water but miscible with organic solvents like ethanol and acetone. This compound has limited reactivity under normal conditions but may undergo hydrolysis in the presence of strong acids or bases. It can be characterized by its distinctive odor and is used in various applications due to its stability and specific functional groups.

How is Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5) typically synthesized?

Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5) can be synthesized via a bromination reaction of 2-(4-hydroxyphenyl)-2-methylpropanoic acid followed by esterification with methanol. This process often uses N-bromosuccinimide (NBS) as a brominating agent and is typically carried out at room temperature. The yield is around 80-85%, with good selectivity for the bromination step.

What industries use Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5)?

Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5) is used in the pharmaceutical industry for the synthesis of certain compounds due to its bromine substituent. It is also utilized in polymer synthesis, where its functional groups can be modified to improve material properties. Additionally, it finds applications in the production of sensors and as a precursor in the semiconductor industry for specific chemical vapor deposition (CVD) processes.

What precautions should be taken when handling Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5)?

When handling Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS: 154825-97-5), it is important to work in a well-ventilated area and use a fume hood. Wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coats. Avoid contact with skin and eyes. In case of spill, immediately use absorbent material to contain the spill, and follow the emergency response procedures outlined in the Material Safety Data Sheet (MSDS/SDS).