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

Basic Information

View in Editor

CAS Number

585-50-2

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

Melting Point

35°C

Boiling Point

149°C/11mmHg

SMILES

View in Editor

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

InChI

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

InChIKey

YLTJJMIWCCJIHI-UHFFFAOYSA-N

LogP

2.722600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

225

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

585-50-2
AKOS000170971
AB03269
T2931
BCP22720
BENZENEPROPANOIC ACID, 3-(TRIFLUOROMETHYL)-
UNII-4U44XHH79H
MFCD00090487
3-(3-trifluoromethyl-phenyl)-propionic acid
Z317037944
FT-0651214
3-trifluoromethylbenylacetic acid
3-(3-TRIFLUOROMETHYLPHENYL)PROPANOIC ACID
AC-25458
AMY4039
3-(3-trifluoromethyl-phenyl)propionic acid
4U44XHH79H
A8285
3-(3-trifluoromethyl-phenyl) -propionic acid
EN300-98646
3-(3-Trifluoromethylphenyl)propionicacid
Q27260496
Benzenepropanoic acid, 3-(trifluoromethyl)-; Hydrocinnamic acid, m-(trifluoromethyl)- (7CI,8CI); 3-(3-Trifluoromethylphenyl)propanoic acid; 3-Trifluoromethylbenzenepropanoic acid; 3-[3-(Trifluoromethyl)phenyl]propionic acid; m-(Trifluoromethyl)hydrocinnamic acid
3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID
Cinacalcet (m5)
DTXSID00380617
m-(Trifluoromethyl)hydrocinnamic acid
CK2083
SY017731
3-(3-(trifluoromethyl)phenyl)propanoic acid
3-[3-(trifluoromethyl)phenyl]propanoic Acid

MDL Number

MFCD00090487

Customs Code

2913000090

FAQ

What is 3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2)?

3-[3-(Trifluoromethyl)phenyl]propanoic acid, with the CAS number 585-50-2, is an organic compound containing a trifluoromethyl group attached to a phenyl ring, which is further linked to a propanoic acid chain. It is a white crystalline solid with a carboxylic acid functional group, making it acidic in nature. This compound is known for its stability and is commonly used in various chemical applications due to its unique molecular structure and reactivity.

What are the main uses of 3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2)?

3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2) is primarily used in pharmaceutical research as a building block for drug development. It is also employed in the synthesis of agrochemicals and organic materials. Its applications span across chemical industries for creating derivatives with specific functional properties. Additionally, it is used in research settings to study the effects of trifluoromethyl substitution on molecular behavior and reactivity.

Is 3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2) safe?

3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2) is generally considered safe when handled properly. However, it may cause skin or eye irritation and should be treated with care. Safety precautions include wearing protective gloves, goggles, and a lab coat. It is advisable to follow standard chemical safety protocols and ensure proper ventilation when working with this compound to minimize exposure risks.

How should 3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2) be stored?

3-[3-(Trifluoromethyl)phenyl]propanoic acid (CAS: 585-50-2) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container to prevent moisture absorption and maintain chemical stability. Storage at temperatures below 25°C is recommended, and it should be protected from potential contaminants to ensure its integrity and effectiveness over time.