3-(3-Fluorophenyl)propanoic acid

Basic Information

View in Editor

CAS Number

458-45-7

Molecular Formula

C9H9FO2

Molecular Weight

168.17 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

41.0 to 45.0 deg-C

Boiling Point

119°C/0.4mmHg

Density

1.222

Refractive Index

1.522

SMILES

View in Editor

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

InChI

InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

UBLMRADOKLXLCD-UHFFFAOYSA-N

LogP

1.8429

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

159

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

Z185153196
EN300-24320
SY017727
F0779
AM20040514
AB08454
UBLMRADOKLXLCD-UHFFFAOYSA-N
3-(3-fluorophenyl)propanoic acid
3-Fluorophenylpropionic acid
3-(3-Fluorophenyl)propionic acid
PS-6446
CS-W017812
FT-0632160
SCHEMBL334758
A826905
MFCD01310821
3-FLUORO-BENZENEPROPANOIC ACID
3-Fluorohydrocinnamic acid
BENZENEPROPANOIC ACID, 3-FLUORO-
W-200381
AC-14115
3-(3-Fluorophenyl) propionic acid
3-(3-Fluoro-phenyl)-propionic acid
3-(3-Fluorophenyl)propionic acid, 97%
458-45-7
DTXSID20372094
GEO-01431
BB 0217990
AKOS000206785
004851
3-(3-Fluor-phenyl)-propionsaeure

MDL Number

MFCD01310821

FAQ

What are the physical and chemical properties of 3-(3-Fluorophenyl)propanoic acid (CAS: 458-45-7)?

3-(3-Fluorophenyl)propanoic acid is a white crystalline solid with a molecular weight of approximately 188.18 g/mol. It has a melting point of 88-89°C and is slightly soluble in water. Chemically, it is relatively stable but can undergo esterification and amide formation. It is used as a precursor in various organic syntheses.

How is 3-(3-Fluorophenyl)propanoic acid (CAS: 458-45-7) typically synthesized?

3-(3-Fluorophenyl)propanoic acid is typically synthesized via a multistep process involving the reaction of 3-fluorophenyl methyl ether with acrylonitrile followed by hydrolysis. The synthesis involves the use of acetic anhydride and sodium hydroxide, with high selectivity and yield.

What industries use 3-(3-Fluorophenyl)propanoic acid (CAS: 458-45-7)?

3-(3-Fluorophenyl)propanoic acid is used in the pharmaceutical industry as an intermediate for drug synthesis. It is also utilized in the production of certain polymers and as a component in sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-(3-Fluorophenyl)propanoic acid (CAS: 458-45-7)?

When handling 3-(3-Fluorophenyl)propanoic acid, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight. In case of spill, it should be handled with care, and proper containment and disposal procedures should be followed, as per the Material Safety Data Sheet (MSDS).