3-[2-(Trifluoromethyl)phenyl]propanoic acid

Basic Information

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CAS Number

94022-99-8

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

Melting Point

84-88 °C

Boiling Point

266.9℃ at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

115.2±25.9 °C

Refractive Index

1.474

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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

InChI

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

InChIKey

YTDVNFDGHHHPEE-UHFFFAOYSA-N

LogP

2.722600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

225

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

3-[2-(Trifluoromethyl)phenyl]propanoic acid
3-[o-(alpha,alpha,alpha-Trifluorotolyl)]propionic acid
3-[2-(Trifluoromethyl)phenyl]propionic acid
2-(Trifluoromethyl)benzenepropanoic acid (ACI)
3-(2-Trifluoromethylphenyl)propanoic acid
2-(2-carboxyethyl)benzotrifluoride, 3-[2-(trifluoromethyl)phenyl]propionic acid
EN300-115395
Z317037938
Benzenepropanoic acid, 2-(trifluoromethyl)-
CHEBI:60707
3-[o-(,,-trifluorotolyl)]propionic acid
94022-99-8
3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid
GS-6190
CS-M0242
3-(2-(trifluoromethyl)phenyl)propanoic acid
Q27128559
DB-079774
2-(trifluoromethyl)hydrocinnamic acid
AKOS000197401
DTXSID70916649
2'-Trifluoromethylphenylpropionic Acid
3-[2-(trifluoromethyl)phenyl]propionic acid
MFCD06823965
2-(Trifluoromethyl)benzenepropanoic acid
SY032237
3-[2-(Trifluoromethyl)phenyl]propionic acid, 97%
3-[2-(Trifluoromethyl)phenyl]propanoicacid
SCHEMBL1953231

MDL Number

MFCD06823965

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8)?

3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is regulated under the REACH regulations in the EU. In the United States, it is subject to FDA and EPA requirements for chemical substances. Proper labeling, storage, and disposal practices are essential to comply with these regulations.

Are there alternatives to 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) in synthesis?

There are several alternatives to 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) in synthesis. Common alternatives include other carboxylic acids with similar functional groups, such as trifluoromethylbenzoic acid or other aromatic carboxylic acids. These alternatives can be used with different reagents and reaction conditions to achieve similar synthetic goals.

What is the market or research trend for 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8)?

The market for 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) shows a steady demand in pharmaceutical and industrial applications. Research trends indicate increasing interest in the use of this compound for drug discovery, particularly in the development of anticancer and antiviral agents. The compound's unique structural features make it a valuable intermediate in various research fields.

How should waste containing 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) be handled?

Waste containing 3-[2-(Trifluoromethyl)phenyl]propanoic acid (CAS: 94022-99-8) should be managed according to hazardous waste regulations. It should be collected in appropriate containers, labeled with the correct hazard symbols, and stored in a well-ventilated area. For disposal, it is recommended to use professional chemical waste disposal services to ensure safe and environmentally friendly treatment methods are applied. Incineration may be necessary for complete destruction, following local environmental protection guidelines.