4-Bromo-3,5-dimethylbenzoic acid

Basic Information

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CAS Number

7697-32-7

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

171 ºC

Boiling Point

323.4±30.0°C at 760 mmHg

Density

1.520±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1=CC(=CC(=C1Br)C)C(=O)O

InChI

InChI=1S/C9H9BrO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)

InChIKey

OKEOADKQDIJJMU-UHFFFAOYSA-N

LogP

2.764140000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

169

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

MFCD16250111
3.5-dimethyl-4-bromobenzoic acid
4-bromo-3,5-dimethyl-benzoic acid
Z1269202538
4-Bromo-3,5-dimethylbenzoic acid
FT-0736303
EN300-133602
4-Bromo-3,5-dimethylbenzoicacid
SCHEMBL850504
TS-03247
A915333
AKOS024098408
OKEOADKQDIJJMU-UHFFFAOYSA-N
7697-32-7
CS-0098718
Benzoic acid, 4-bromo-3,5-dimethyl-
SY152312
Boron Standard Metal Solution
4-BROMO-3,5-DIMETHYLBENZOIC ACID

MDL Number

MFCD16250111

FAQ

What are the physical and chemical properties of 4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7)?

4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7) is a crystalline solid with a molecular weight of approximately 225.03 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. The compound is known for its acidic nature and reacts with bases to form salts. It is also relatively stable under normal conditions but can be sensitive to strong bases or reducing agents.

How is 4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7) typically synthesized?

4-Bromo-3,5-dimethylbenzoic acid is typically synthesized by the bromination of 3,5-dimethylbenzoic acid followed by an acylation step. This process involves the use of bromine and a suitable base, such as sodium hydride, in an organic solvent. The reaction is carried out under controlled conditions to ensure high selectivity and yield.

What industries use 4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7)?

4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7) is primarily used in pharmaceuticals, where it serves as a precursor in the synthesis of various drugs. It is also utilized in the chemical industry for the production of dyes, plasticizers, and other organic compounds. Additionally, it has applications in the electronics industry, particularly in the manufacturing of semiconductors and sensors.

What precautions should be taken when handling 4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7)?

When handling 4-Bromo-3,5-dimethylbenzoic acid (CAS: 7697-32-7), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used during operations to minimize exposure. In case of spills, immediately clean up using appropriate absorbents and follow the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) guidelines for disposal.