2-(Trifluoromethyl)benzoic acid

Basic Information

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CAS Number

433-97-6

Molecular Formula

C8H5F3O2

Molecular Weight

190.12 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Crystalline Powder

Melting Point

107-110 °C

Boiling Point

247 °C/753 mmHg

Flash Point

101.2℃

Refractive Index

1.307

SMILES

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C1=CC=C(C(=C1)C(=O)O)C(F)(F)F

InChI

InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

InChIKey

FBRJYBGLCHWYOE-UHFFFAOYSA-N

LogP

2.403600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

200

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

ortho-trifluoromethylbenzoic acid
o-Trifluoromethylbenzoic acid
NCIOpen2_001264
AC7509
2-(Trifluoromethyl)benzoic acid
MFCD00002476
Z56922112
UNII-0R1CK7MZUA
EINECS 207-093-9
DTXSID90870537
SY002327
2-trifluoromethyl benzoic acid
NSC88326
CHEBI:60694
AC-2625
FT-0608957
F2191-0057
O-TOLUIC ACID, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
JPCUZPKBLYUQRD-UHFFFAOYSA-N
o-Toluic acid, ?,?,?-trifluoro- (6CI,7CI,8CI); 2-(Trifluoromethyl)benzoic acid; NSC 88326; o-(Trifluoromethyl)benzoic acid; ?,?,?-Trifluoro-o-toluic acid
2-Trifluoromethylbenzoic acid
2-Trifluromethylbenzoic acid
2-(Trifluoromethyl)benzoic acid, 98%
o-(trifluoromethyl)benzoic acid
2-(trifluoroformyl)benzoic acid
NSC 88326
AM61555
2-(Trifluoromethyl)benzoicAcid
SCHEMBL221518
o-CARBOXYBENZOTRIFLUORIDE
o-trifluoromethyl-benzoic acid

MDL Number

MFCD00002476

Customs Code

2916399090

FAQ

What is 2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6)?

2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) is an organic compound with the chemical formula C8H6F3CO2H. It is a benzoic acid derivative featuring a trifluoromethyl group attached to the benzene ring. This compound is known for its strong acidity and is commonly used in chemical synthesis due to its stability and reactivity. It appears as a white crystalline solid and has a high melting point, making it suitable for various industrial and research applications.

What are the main uses of 2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6)?

2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) is widely used in pharmaceutical research as an intermediate for drug development. It also finds applications in the synthesis of agrochemicals, dyes, and polymers. In the industry, it serves as a precursor for fluorinated compounds, and in research, it is utilized for studying fluorine's role in organic reactions. Its unique chemical properties make it valuable in the development of materials with enhanced thermal and chemical stability.

Is 2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) safe?

2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) is generally considered safe when handled properly. However, it can be harmful if inhaled, ingested, or comes into contact with skin or eyes. Precautions include using personal protective equipment (PPE) such as gloves, goggles, and lab coats. It is important to follow safety guidelines and storage recommendations to minimize exposure and ensure safe handling in both laboratory and industrial settings.

How should 2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) be stored?

2-(Trifluoromethyl)benzoic acid (CAS: 433-97-6) should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60%. Due to its chemical nature, it is recommended to store it in a flammable storage cabinet and ensure proper labeling for safe handling and disposal.