2-Methyl-3-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

62089-35-4

Molecular Formula

C9H7F3O2

Molecular Weight

204.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

106-109℃

Boiling Point

256.8℃/760mmHg

SMILES

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CC1=C(C=CC=C1C(F)(F)F)C(=O)O

InChI

InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)

InChIKey

SSCFPSMXIDAJDT-UHFFFAOYSA-N

LogP

2.7120200000000008

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

225

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EN300-1276363
J-509947
DTXSID90379595
MFCD01631588
Benzoic acid, 2-methyl-3-(trifluoromethyl)-
AC-9039
2-methyl-3-(trifluoromethyl)benzoic Acid
CS-W015434
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?hydrochloride
SCHEMBL697951
PS-8149
3-Carboxy-2-methylbenzotrifluoride
62089-35-4
2-Methyl-3-trifluoromethylbenzoic acid
AKOS015956002
2-methyl-3-(trifluoromethyl)-benzoic acid
A833577
SY017158
2-Methyl-3-(trifluoromethyl)benzoic acid, AldrichCPR
3-trifluoromethyl-2-methylbenzoic acid
AM84145
3-trifluoromethyl-2-methybenzoic acid
FT-0612934
2-methyl-3-trifluoromethyl-benzoic acid
2-METHYL-3-(TRIFLUOROMETHYL)BENZOIC ACID
2-METHYL-3-TRIFLUOROMETHYLBENZOIC ACID
C9H7F3O2
2-methyl-3-(trifluoromethyl)benzoic acid

MDL Number

MFCD01631588

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4)?

2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes classification as a hazardous chemical. In the European Union, it is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the United States also have specific guidelines for handling and disposal of this compound.

Are there alternatives to 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4) in synthesis?

There are several alternatives to 2-Methyl-3-(trifluoromethyl)benzoic acid in synthesis, including 2-Fluorobenzoic acid and 3-Chlorobenzoic acid. These compounds can serve as effective substitutes depending on the specific reaction conditions and desired products. Additionally, isomers such as 3-Methyl-2-(trifluoromethyl)benzoic acid can also be considered as alternatives based on the structural requirements of the synthesis.

What is the market or research trend for 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4)?

The market for 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4) is growing, driven by its applications in pharmaceuticals and agrochemicals. Research trends are focusing on developing more efficient and environmentally friendly synthesis methods, as well as exploring its use in new drug candidates and crop protection products. The increasing demand for specialized organic intermediates is also contributing to the positive market outlook.

How should waste containing 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4) be handled?

Waste containing 2-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 62089-35-4) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, especially for large quantities. Environmental protection precautions include ensuring proper containment to prevent spillage and adhering to local and national waste management regulations. Additionally, neutralization or chemical treatment may be necessary before disposal to minimize environmental impact.