3-Chloro-2-methylbenzoic acid

Basic Information

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CAS Number

7499-08-3

Molecular Formula

C8H7ClO2

Molecular Weight

170.59 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

Physical State

Solid

Melting Point

162.0 to 166.0 deg-C

Boiling Point

290.9℃ at 760 mmHg

Density

1.31

Flash Point

129.7℃

Refractive Index

1.573

SMILES

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CC1=C(C=CC=C1Cl)C(=O)O

InChI

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

InChIKey

HXGHMCLCSPQMOR-UHFFFAOYSA-N

LogP

2.3466199999999997

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS005258513
AC-5777
InChI=1/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11
FS-1281
AE-562/40230280
J-512199
7499-08-3
2-methyl-3-chlorobenzoic acid
DTXSID30225946
3-Chloro-2-methylbenzoicacid
Benzoic acid, 3-chloro-2-methyl-
Z1255364850
AM20060893
HXGHMCLCSPQMOR-UHFFFAOYSA-N
SCHEMBL99535
NSC-407522
NSC407522
o-Toluic acid, 3-chloro-
3-Chloro-2-methyl-benzoic acid
MFCD00053312
SY014306
3-chloro-2-methybenzoic acid
CS-W002261
NSC 407522
FT-0636511
3-Chloro-o-toluic acid
3chloro-2-methylbenzoic acid
2-methyl-3-chloro-benzoic acid
C2057
3-Chloro-2-methylbenzoic acid, 98%
3-Chloro-2-methylbenzoic acid

MDL Number

MFCD00053312

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Chloro-2-methylbenzoic acid (CAS: 7499-08-3)?

3-Chloro-2-methylbenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 177.57 g/mol. It has a pKa of about 4.2 and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It exhibits moderate reactivity towards bases and nucleophiles.

How is 3-Chloro-2-methylbenzoic acid (CAS: 7499-08-3) typically synthesized?

3-Chloro-2-methylbenzoic acid is commonly synthesized through the nitration of toluene followed by reduction of the nitro group to a hydroxyl group, followed by chlorination. This process yields the desired compound with good selectivity and yield under appropriate conditions.

What industries use 3-Chloro-2-methylbenzoic acid (CAS: 7499-08-3)?

3-Chloro-2-methylbenzoic acid is used in various industries including pharmaceuticals for the synthesis of certain drugs, in the production of dyes and pigments, and as a precursor in the development of organic semiconductors. It also finds application in the synthesis of pesticides and other chemical intermediates.

What precautions should be taken when handling 3-Chloro-2-methylbenzoic acid (CAS: 7499-08-3)?

When handling 3-Chloro-2-methylbenzoic acid, wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, dry place away from heat sources and incompatible materials. Use a fume hood during operations to minimize inhalation exposure. Refer to the Safety Data Sheet (SDS) for detailed safety information.