4-Chloro-2-methylbenzoic acid

Basic Information

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CAS Number

7499-07-2

Molecular Formula

C8H7ClO2

Molecular Weight

170.6 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

171.0 to 175.0 deg-C

Boiling Point

300.3℃ at 760 mmHg

Density

1.31

Flash Point

135.4℃

Refractive Index

1.573

SMILES

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

InChI

InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

XXFKOBGFMUIWDH-UHFFFAOYSA-N

LogP

2.34662

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

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GHS Hazard Pictograms

H302

H318

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005258514
EN300-109228
DTXSID60324678
NSC-407521
FT-0636510
Z1203161814
AC-9040
XXFKOBGFMUIWDH-UHFFFAOYSA-N
C2508
SY017097
4-chloro-2-methyl-benzoic acid
MFCD00045852
SCHEMBL109654
AE-842/31479031
CL8113
FS-1530
NSC 407521
J-514969
4-Chloro-o-toluic acid
4-chloro-2-methylbenzoicacid
Benzoic acid, 4-chloro-2-methyl-
CS-W008346
4-Chloro-2-methylbenzoic acid
AM20060096
4-Chloro-2-methylbenzoic acid, 96%
o-Toluic acid, 4-chloro-
7499-07-2
NSC407521
Benzoic acid,4-chloro-2-methyl-
2-methyl-4-chlorobenzoic acid
4-Chlor-2-methyl-benzoesaeure

MDL Number

MFCD00045852

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2)?

4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2) is a crystalline solid with a molecular weight of 175.58 g/mol. It has a pKa of approximately 3.4 and is sparingly soluble in water at room temperature. Chemically, it is reactive towards bases and can undergo substitution reactions. It is insoluble in most organic solvents except for those with strong hydrogen bonding capabilities.

How is 4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2) typically synthesized?

4-Chloro-2-methylbenzoic acid is typically synthesized through the reaction of 2-methylbenzoic acid with chlorine gas in the presence of a catalyst such as aluminum chloride. This process involves electrophilic aromatic substitution and requires careful temperature control to achieve high yield and selectivity.

What industries use 4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2)?

4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2) is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various organic compounds and is also utilized in the production of certain dyes and pigments. Its applications extend to the polymer and semiconductor industries as well, where it is used in the development of photoresists and other specialized materials.

What precautions should be taken when handling 4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2)?

When handling 4-Chloro-2-methylbenzoic acid (CAS: 7499-07-2), it is important to use personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be cleaned up with caution using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for comprehensive guidelines on handling and storage.