4-Bromo-2-methylbenzoic acid

Basic Information

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CAS Number

68837-59-2

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

179.0 to 185.0 deg-C

Boiling Point

310.1℃ at 760 mmHg

Water Solubility

Insoluble in water.

Flash Point

141.3℃

SMILES

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CC1=C(C=CC(=C1)Br)C(=O)O

InChI

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

InChIKey

RVCJOGNLYVNRDN-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

Synonyms & References

English

SCHEMBL6360
J-508484
2-methyl-4-bromobenzoic acid
PS-7948
EINECS 272-437-7
UNII-W689VK4N9Y
NSC243710
methyl 4-bromobenzoic acid
4-Bromo-2-methyl benzoic acid
4-Bromo-o-toluic Acid
HY-W004863
DTXSID40218940
SY004437
B3337
EN300-43616
4bromo-2-methylbenzoic acid
A1776
68837-59-2
4-Bromo-2-methylbenzoic acid
W689VK4N9Y
4-BROMO-2-METHYL-BENZOIC ACID
CS-W004863
4-Bromo-2-methylbenzoic acid, 97%
AC-3341
BCP24562
4-Bromo-2-methylbenzoicacid
NSC-243710
Benzoic acid, 4-bromo-2-methyl-
Ethylacetoacetatepropyleneglycolketal
NS00036718
A1-00378

MDL Number

MFCD00040905

Customs Code

2916399090

FAQ

What is 4-Bromo-2-methylbenzoic acid (CAS: 68837-59-2)?

4-Bromo-2-methylbenzoic acid is an organic compound with the chemical formula C8H9BrO2. It is a substituted aromatic carboxylic acid containing a bromine atom and a methyl group on the benzene ring. This compound is known for its stability and is commonly used in chemical synthesis due to its reactivity and functional group versatility.

What are the main uses of 4-Bromo-2-methylbenzoic acid (CAS: 68837-59-2)?

4-Bromo-2-methylbenzoic acid is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of dyes, agrochemicals, and organic materials. Its unique structure makes it valuable in the creation of complex molecules for various industrial and scientific purposes.

Is 4-Bromo-2-methylbenzoic acid (CAS: 68837-59-2) safe?

4-Bromo-2-methylbenzoic acid is considered toxic if ingested or inhaled. It should be handled with appropriate protective equipment, such as gloves and goggles. Safety standards recommend avoiding skin contact and ensuring proper ventilation during use to minimize health risks.

How should 4-Bromo-2-methylbenzoic acid (CAS: 68837-59-2) be stored?

4-Bromo-2-methylbenzoic acid should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container at a temperature below 25°C and with low humidity to maintain its stability and prevent degradation.