3-Bromo-2-methylbenzoic acid

Basic Information

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CAS Number

76006-33-2

Molecular Formula

C8H7BrO2

Molecular Weight

215.05 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

152-156 °C

Flash Point

145℃

Solubility

Soluble in chloroform, methanol

SMILES

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

InChI

InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

BJGKVCKGUBYULR-UHFFFAOYSA-N

LogP

2.4557200000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive/Air Sensitive

Synonyms & References

English

AKOS005258291
3-brorno-2-methylbenzoic acid
A852295
3-Bromo-2-methylbenzoic acid, 97%
2-methyl-3-bromobenzoic acid
3-bromo-2-methybenzoic acid
Bromo-methylbenzoic acid
SY004585
AN-652/43422922
AC-19501
STR08657
3-Bromo-2-methyl benzoic acid
FT-0602332
3-bromo-2-methylbenzenecarboxylic acid
SCHEMBL211283
3-bromo-2-methyl-benzoic Acid
CK2194
3-Bromo-2-methylbenzoic acid
A9647
PS-7949
EN300-86164
CS-W001089
BCP15096
76006-33-2
BENZOIC ACID, 3-BROMO-2-METHYL-
DTXSID40370815
B3221
AM20041129
Z1258930119
J-511884
BJGKVCKGUBYULR-UHFFFAOYSA-N

MDL Number

MFCD00270097

Customs Code

2916399090

FAQ

What is 3-Bromo-2-methylbenzoic acid (CAS: 76006-33-2)?

3-Bromo-2-methylbenzoic acid is a brominated aromatic carboxylic acid with the chemical formula C8H7BrO2. It is a solid compound characterized by a benzene ring substituted with a bromo group at position 3 and a methyl group at position 2, along with a carboxylic acid functional group. This compound exhibits typical properties of aromatic acids, including acidity and potential reactivity due to the bromo substitution.

What are the main uses of 3-Bromo-2-methylbenzoic acid (CAS: 76006-33-2)?

3-Bromo-2-methylbenzoic acid is primarily used in pharmaceutical research as an intermediate for drug development. It also finds applications in organic synthesis, agrochemical formulations, and industrial processes requiring functionalized aromatic compounds. Its unique structure makes it valuable for creating derivatives with tailored properties for specific uses.

Is 3-Bromo-2-methylbenzoic acid (CAS: 76006-33-2) safe?

3-Bromo-2-methylbenzoic acid is considered hazardous and requires careful handling. It may cause skin and eye irritation, and inhalation or ingestion can pose health risks. Safety standards recommend using personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. Always follow OSHA and EPA guidelines for proper disposal and exposure limits.

How should 3-Bromo-2-methylbenzoic acid (CAS: 76006-33-2) be stored?

3-Bromo-2-methylbenzoic acid should be stored in a cool, dry, and dark location, preferably at 2-8°C. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. Avoid exposure to light and ensure proper ventilation. Storage must comply with chemical safety regulations to maintain stability and prevent hazardous reactions.