4-Methyl-3-(trifluoromethyl)benzoic acid

Basic Information

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CAS Number

261952-01-6

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

175.0 to 179.0 deg-C

Boiling Point

233°C at 760 mmHg

Density

1.24

Flash Point

94.7°C

Refractive Index

1.463

SMILES

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CC1=C(C=C(C=C1)C(=O)O)C(F)(F)F

InChI

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

InChIKey

CAPKAYDTKWGFQB-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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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

4-Methyl-3-(trifluoromethyl)benzoicacid
DTXSID30379599
4-methyl-3-trifluoromethylbenzoic acid
SCHEMBL374174
PS-8150
261952-01-6
FT-0644158
4-Methyl-3-(trifluoromethyl)benzoic acid, AldrichCPR
3-(Trifluoromethyl)-p-toluic Acid
A1615
Q-101275
AC-4001
BCP24597
3-(trifluoromethyl)-4-methylbenzoic acid
MFCD01631592
CS-W007459
a-Methyl-N-(3-phenyl-2-propenyl)benzenethanamine
3-trifluoromethyl-4-methyl benzoic acid
A928401
4-Methyl-3-(trifluoromethyl)benzoic acid
3-Trifluoromethyl-p-toluic acid
Benzoic acid, 4-methyl-3-(trifluoromethyl)-
EN300-311902
4-methyl-3-(trifluoromethyl)-benzoic acid
AM20040045
M2708
PB19929
SY022936
NS00120608
4-methyl-3-trifluoromethyl-benzoic acid
AKOS005063922

MDL Number

MFCD01631592

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 261952-01-6)?

4-Methyl-3-(trifluoromethyl)benzoic acid is a solid with a crystalline form. It has a molecular weight of 228.11 g/mol. This compound is poorly soluble in water but soluble in organic solvents like acetone and dichloromethane. It is reactive and can undergo typical carboxylic acid reactions such as esterification and acylation.

How is 4-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 261952-01-6) typically synthesized?

4-Methyl-3-(trifluoromethyl)benzoic acid can be synthesized through the Friedel-Crafts alkylation of 3-(trifluoromethyl)benzoic acid with methyl iodide. This reaction requires a Lewis acid catalyst such as aluminum chloride and typically provides good yield and selectivity. Other methods include direct synthesis from 3-(trifluoromethyl)benzoic anhydride with methylamine.

What industries use 4-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 261952-01-6)?

4-Methyl-3-(trifluoromethyl)benzoic acid is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also used in the polymer industry as a monomer for specialty polymers. Additionally, it has applications in the electronics industry, particularly in the production of thin-film transistors and other semiconductor devices.

What precautions should be taken when handling 4-Methyl-3-(trifluoromethyl)benzoic acid (CAS: 261952-01-6)?

When handling 4-Methyl-3-(trifluoromethyl)benzoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a fume hood to minimize exposure. Spills should be cleaned up using appropriate safety procedures and materials. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.