3-[4-(trifluoromethyl)phenyl]propanoic acid

Basic Information

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CAS Number

53473-36-2

Molecular Formula

C10H9F3O2

Molecular Weight

218.17 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

Physical State

White to Yellow Solid

Melting Point

106-110 °C

Boiling Point

279°C at 760 mmHg

Flash Point

0℃

SMILES

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C1=CC(=CC=C1CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)

InChIKey

OEIUMLSCWINLBB-UHFFFAOYSA-N

LogP

2.722600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

217

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

3-(4-(trifluoromethyl)phenyl)propanoic acid
3-(4-(trifluoromethyl)phenyl) propionic acid
BENZENEPROPANOIC ACID, 4-(TRIFLUOROMETHYL)-
CS-M0217
3-(4-Trifluoromethyl-phenyl)-propionic acid
4-(Trifluoromethyl)hydrocinnamic acid, 95%
SY002492
MFCD00674032
A829617
4-(Trifluoromethyl)hydrocinnamicacid
FS-2357
F9995-0960
BCP22482
4-(Trifluoromethyl)hydrocinnamic acid
4-(tri-fluoromethyl)-hydrocinnamic acid
EN300-72208
AB06928
T2927
AKOS000185056
53473-36-2
SCHEMBL117230
AM20060262
3-(4-Trifluoromethylphenyl)propionic acid
4-(TRIFLUOROMETHYL)PHENYLPROPIONIC ACID
3-[4-(Trifluoromethyl)phenyl]propionic acid
4-trifluoromethylhydrocinnamic acid
2-[4-(trifluoromethyl)phenyl]propanoic acid;3-[4-(Trifluoromethyl)phenyl]propionic Acid
3-(4-trifluoromethylphenyl)-propionic acid
J-513922
3-[4-(trifluoromethyl)phenyl]propanoic Acid
Z317037992

MDL Number

MFCD00674032

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2)?

3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) is classified as a hazardous substance under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is also regulated under REACH in the European Union, which requires manufacturers and importers to register substances if they exceed certain tonnage thresholds. In the USA, the FDA and EPA have specific requirements for the handling and disposal of this compound due to its hazardous nature.

Are there alternatives to 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) in synthesis?

Yes, there are alternatives to 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) in synthesis. Common alternatives include similar aromatic compounds with different substituents or simple carboxylic acids. Isomers and analogs such as 3-(phenyl)propanoic acid or 3-(3-fluorophenyl)propanoic acid can be used as substitutes, depending on the specific needs of the reaction.

What is the market or research trend for 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2)?

The market for 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) is driven by its use in pharmaceuticals and fine chemicals. Research trends are focusing on its application in anti-inflammatory and anticancer drug development. The compound is also being explored for its potential in agrochemicals. Market trends indicate increasing demand due to its unique chemical structure and bioactivity.

How should waste containing 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) be handled?

Waste containing 3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 53473-36-2) should be collected in appropriate containers and stored separately. It should be neutralized with a compatible base and then treated by incineration or professional waste disposal services. Environmental precautions include the use of protective equipment and ensuring compliance with local environmental regulations. Proper documentation of waste management is essential for regulatory compliance.