4-(Trifluoromethyl)benzoic acid

Basic Information

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CAS Number

455-24-3

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

Melting Point

219-220 °C

Boiling Point

243.2°C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

247℃/753mm

Refractive Index

1.449

SMILES

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C1=CC(=CC=C1C(=O)O)C(F)(F)F

InChI

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

InChIKey

SWKPKONEIZGROQ-UHFFFAOYSA-N

LogP

2.403600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

192

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

BS-4038
TECOVIRIMAT METABOLITE (TFMBA)
D70992
4-(Trifluoromethyl)benzoic acid, 98%
InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13
FT-0619542
F0001-1231
NSC88327
alpha,alpha,alpha-Trifluoro-p-toluic acid
Enamine_005626
p-Trifluoromethylbenzoic acid
4-TRIFLUOROMETHYLBENZOIC ACID
p-(trifluoromethyl)benzoic acid
3AE
UNII-KA05X8S21Z
Para-(trifluoromethyl)benzoic acid
SCHEMBL78879
paratrifluoromethylbenzoic acid
Q27128434
Benzoic acid, 4-(trifluoromethyl)-
455-24-3
4-trifluoromethyl benzoic acid
NSC 88327
EINECS 207-242-8
AM20060101
T1145
P-CARBOXYBENZOTRIFLUORIDE
Z56922105
CS-W015914
HY-W015198
4-(Trifluoromethyl)benzoicAcid

MDL Number

MFCD00002562

Customs Code

29163900

FAQ

What is 4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3)?

4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) is an organic compound with the chemical formula C8H6F3CO2H. It is a substituted benzoic acid where a trifluoromethyl group is attached to the fourth carbon of the benzene ring. This compound is known for its strong hydrophilic properties and is commonly used in chemical synthesis due to its reactivity and stability in various conditions.

What are the main uses of 4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3)?

4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) is widely used in pharmaceutical research as a building block for drug development. It also finds applications in the production of agrochemicals, dyes, and materials with enhanced thermal and chemical stability. Its unique fluorinated structure makes it valuable in creating compounds with specific biological activity and functional properties.

Is 4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) safe?

4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) is considered to have moderate toxicity and should be handled with care. It is advisable to use protective equipment such as gloves and goggles when working with this compound. Safety standards recommend avoiding inhalation and skin contact, and proper disposal procedures should be followed to ensure environmental safety.

How should 4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) be stored?

4-(Trifluoromethyl)benzoic acid (CAS: 455-24-3) should be stored in a cool, dry, and well-ventilated place, away from light. It is best kept in a sealed container made of glass or plastic to prevent moisture absorption. Maintain storage temperature below 25°C and ensure humidity levels are low to preserve its stability and purity.