Methyl 2-bromo-2-methylpropanoate

Basic Information

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CAS Number

23426-63-3

Molecular Formula

C5H9BrO2

Molecular Weight

181.03 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

No data available

Boiling Point

145.8±8.0 °C at 760 mmHg

Refractive Index

1.451

SMILES

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

InChI

InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3

InChIKey

PQUSVJVVRXWKDG-UHFFFAOYSA-N

LogP

1.3329

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

98.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Synonyms & References

English

NSC-406890
FT-0628443
methyl-alpha-bromoisobutyrate
Methyl 2-bromo-isobutyrate
MFCD00017854
2-Bromo-2-methylpropionic acid methyl ester
D78112
Methyl 2-Bromoiso Butyrate
alpha-Bromoisobutyric acid methyl ester
methyl-2-bromo-2-methylpropanoate
23426-63-3
SCHEMBL117832
8SA4292KBM
Propanoic acid, 2-bromo-2-methyl-, methyl ester
NSC 406890
Methyl alpha-bromoisobutyrate
EINECS 245-657-6
methyl2-bromoisobutyrate
methyl 2-bromo-2-methyl-proprionate
methyl 2-bromo-2-methylpropanoate
methyl 2-bromo-2-methyl-propionate
J-521954
UNII-8SA4292KBM
CS-0008788
DTXSID40177982
methyl 2-bromo-2-methyl-propanoate
Methyl alpha-bromoisobutyrate, >=99.0% (GC)
A816709
EN300-109861
NS00027416
2-bromo-2-methyl-propanoic acid methylester

MDL Number

MFCD00017854

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Methyl 2-bromo-2-methylpropanoate (CAS: 23426-63-3)?

Methyl 2-bromo-2-methylpropanoate is a colorless to slightly yellow liquid at room temperature. It has a molecular weight of approximately 189.04 g/mol. The compound is poorly soluble in water but miscible with organic solvents. It is moderately reactive towards nucleophiles and can undergo nucleophilic substitution reactions. Its density is around 1.23 g/cm³.

How is Methyl 2-bromo-2-methylpropanoate (CAS: 23426-63-3) typically synthesized?

Methyl 2-bromo-2-methylpropanoate can be synthesized by bromination of 2-methylbutan-2-ol using N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The reaction is typically carried out in an inert solvent like dichloromethane or toluene. The selectivity and yield of the reaction are influenced by the reaction conditions, such as temperature and solvent choice.

What industries use Methyl 2-bromo-2-methylpropanoate (CAS: 23426-63-3)?

Methyl 2-bromo-2-methylpropanoate is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It also finds applications in the polymer industry, where it serves as a monomer or a functionalizing agent. Additionally, it can be used in the development of sensors and semiconductors.

What precautions should be taken when handling Methyl 2-bromo-2-methylpropanoate (CAS: 23426-63-3)?

When handling Methyl 2-bromo-2-methylpropanoate, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to bromine vapor. Spills should be cleaned up using appropriate safety measures, and the Material Safety Data Sheet (MSDS) should be consulted for specific handling and disposal instructions.