2-Chloro-3-methylbenzoic acid

Basic Information

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CAS Number

15068-35-6

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

140.0 to 144.0 deg-C

Boiling Point

288.7℃ at 760 mmHg

Density

1.31

Flash Point

128.4℃

Refractive Index

1.573

SMILES

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

InChI

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

InChIKey

LWOKLXMNGXXORN-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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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

BCP24573
SY014477
EN300-117678
FS-2539
A3313
2-Chloro-m-toluic Acid
LWOKLXMNGXXORN-UHFFFAOYSA-
2-Chloro-3-methylbenzoic acid
MFCD00079736
InChI=1/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
AKOS005258536
2-Chloro-3-methyl-benzoic acid
AC-3936
Z1201618851
CK2171
2-Chloro-3-methylbenzoicacid
C2114
2-chloro-3-methyl benzoic acid
Benzoic acid, 2-chloro-3-methyl-
CS-W017671
SCHEMBL306828
15068-35-6
CHEMBL3236914
DTXSID30164588
2-Chloro-3-methylbenzoic acid, AldrichCPR
W-205706
FT-0600384
2-Chlor-3-methyl-benzoesaeure
3-Methyl-2-chlorobenzoic acid
2-Chloro-3-Methyl
2-Chloro-3-methylben

MDL Number

MFCD00079736

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6)?

2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes classification for health hazards and environmental hazards. It is also subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) in the European Union, requiring manufacturers and importers to register substances above a certain tonnage threshold. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific regulations regarding its use and disposal.

Are there alternatives to 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) in synthesis?

Yes, there are alternatives to 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) that can be used in synthesis, such as 2-Methylbenzoic acid or 3-Chloro-2-methylbenzoic acid. These alternatives can offer similar functionalities but with different substituents, providing flexibility in chemical synthesis.

What is the market or research trend for 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6)?

The market for 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) is influenced by its use in the pharmaceutical and agricultural industries. Research trends focus on its potential applications as a precursor in the synthesis of medicinal compounds and pesticides. Recent studies are also exploring its role in novel drug discovery and development.

How should waste containing 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) be handled?

Waste containing 2-Chloro-3-methylbenzoic acid (CAS: 15068-35-6) should be collected in appropriate containers labeled with the chemical name and the date of disposal. It should be stored in a secure, well-ventilated area away from incompatible materials. For disposal, professional waste management services should be contacted to ensure compliance with local regulations. Proper incineration or chemical treatment methods should be employed to minimize environmental impact.