2-Bromo-4-(2-methyl-2-propanyl)benzoic acid

Basic Information

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CAS Number

6332-96-3

Molecular Formula

C11H13BrO2

Molecular Weight

257.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

310.6℃ at 760 mmHg

SMILES

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

InChI

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

InChIKey

ZLTIYXKXOZKGDG-UHFFFAOYSA-N

LogP

3.4448000000000016

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

220

Synonyms & References

English

2-Bromo-4-(tert-butyl)benzoic acid
2-BROMO-4-TERT-BUTYLBENZOIC ACID
2-bromo-4-tert-butyl-benzoic acid
4-tert-butyl-2-bromobenzoic acid
AC1L5WF0
AC1Q5TYI
ANW-65960
AR-1D9524
CTK5B8659
NSC38779
SureCN2346964
2-Bromo-4-(1,1-dimethylethyl)-benzoic acid
ZLTIYXKXOZKGDG-UHFFFAOYSA-N
FCH1401527
AB0065414
AX8236344
A9365
Z4974
ST24022046

MDL Number

MFCD11040238

FAQ

What are the physical and chemical properties of 2-Bromo-4-(2-methyl-2-propanyl)benzoic acid (CAS: 6332-96-3)?

2-Bromo-4-(2-methyl-2-propanyl)benzoic acid is a white crystalline solid with a molecular weight of approximately 256.04 g/mol. It has a low solubility in water (less than 1 g/L at 20°C) and is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with bases to form the corresponding sodium salt. It is not highly reactive under normal conditions but should be handled with care due to its halogen content.

How is 2-Bromo-4-(2-methyl-2-propanyl)benzoic acid (CAS: 6332-96-3) typically synthesized?

2-Bromo-4-(2-methyl-2-propanyl)benzoic acid is typically synthesized via a multi-step process starting from benzoic acid. The first step involves reacting benzoic acid with 2-methyl-2-propanol to form the corresponding ester, which is then brominated using bromine and a suitable base like sodium hydroxide. The product is isolated and purified using recrystallization or column chromatography.

What industries use 2-Bromo-4-(2-methyl-2-propanyl)benzoic acid (CAS: 6332-96-3)?

2-Bromo-4-(2-methyl-2-propanyl)benzoic acid finds applications in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also used in the polymer industry as a monomer or intermediate. Additionally, it has applications in the production of sensors and semiconductors, where its specific chemical properties make it suitable for functionalization and modification.

What precautions should be taken when handling 2-Bromo-4-(2-methyl-2-propanyl)benzoic acid (CAS: 6332-96-3)?

When handling 2-Bromo-4-(2-methyl-2-propanyl)benzoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.