2-Bromo-2-methylpropanoic acid

Basic Information

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CAS Number

2052-01-9

Molecular Formula

C4H7BrO2

Molecular Weight

167 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

43.0 to 46.0 deg-C

Boiling Point

198-200 °C

Water Solubility

Soluble in alcohol and ether. Slightly soluble in water.

Refractive Index

1.4570 (estimate)

SMILES

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

InChI

InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

InChIKey

XXSPGBOGLXKMDU-UHFFFAOYSA-N

LogP

1.2445000000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

87.7

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Sensitiveness

photosensitive

Synonyms & References

English

AM20090161
MFCD00004168
Alpha-bromoisobutyricacid
2-Bromo-2-methylpropionic acid, 98%
NS00026676
2-bromo-2-methylproprionic acid
alpha-Bromo-alpha-methylpropionic acid
alpha-Bromoisobutyric acid
FT-0611570
EINECS 218-139-2
2-Bromo-2-methylpropionic acid
2052-01-9
Isobromobutyric acid
821P2R6B0A
2-bromo-2-methyl-propanoic acid
AS-13185
XXSPGBOGLXKMDU-UHFFFAOYSA-
CCRIS 9046
AKOS015841143
alpha-Bromoisobutyric acid, purum, >=98.0% (GC)
NSC-41213
UNII-821P2R6B0A
Propanoic acid, 2-bromo-2-methyl-
2-Bromo-2-methylpropanoic acid
Q27269291
3-(3-Hydroxyphenyl)benzoicacid
bromoisobutyric acid
2-Bromoisobutyric acid
SCHEMBL138469
BROMO-2-METHYLPROPIONIC ACID, 2-

MDL Number

MFCD00004168

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9)?

2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9) is a white crystalline solid with a molecular weight of approximately 188.02 g/mol. It has a low solubility in water (1.2 g/L at 20°C) and is moderately soluble in organic solvents. The acid is reactive, particularly towards nucleophiles, and can undergo bromination reactions. It is also prone to hydrolysis under acidic or basic conditions.

How is 2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9) typically synthesized?

2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9) is typically synthesized via the reaction of 2-methylpropionaldehyde with bromine in the presence of a base like sodium hydroxide. The main steps involve the bromination of the aldehyde followed by hydrolysis to form the carboxylic acid. The yield is usually around 75-85%, with high selectivity towards the bromo compound.

What industries use 2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9)?

2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It also finds applications in the chemical and polymer industries, where it serves as a monomer for the preparation of functional materials. Additionally, it is utilized in the production of certain sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9)?

Proper handling of 2-Bromo-2-methylpropanoic acid (CAS: 2052-01-9) requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Storage should be in a cool, dry place, away from heat and ignition sources. Fume hoods should be used during operations, and spill handling should follow standard procedures. A safety data sheet (SDS) should always be consulted for detailed safety guidelines.