3-(3-chlorophenyl)propanoic acid

Basic Information

View in Editor

CAS Number

21640-48-2

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

72-76 °C

Boiling Point

306.6±17.0℃ at 760 mmHg

Flash Point

139.2℃

Refractive Index

1.5242 (estimate)

SMILES

View in Editor

C1=CC(=CC(=C1)Cl)CCC(=O)O

InChI

InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

CLTDVBQNUHHYCA-UHFFFAOYSA-N

LogP

2.3572000000000006

pKa

4.59(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

159

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

LSQ
3-CHLOROPHENYL-3-PROPANOIC ACID
BP-20160
AM20061104
DS-14838
DTXSID00176032
SCHEMBL80581
CS-W016980
FT-0659876
AB01330551-02
SY017063
3-(3-chlorophenyl)propanoic acid
BCP04483
MFCD01310801
3-(3-Chlorophenyl)propanoicacid
3-(3-Chlorophenyl)propionic acid
NCGC00337419-01
3-(3-Chlorophenyl)propionic acid, 97%
3-(3-Chlorophenyl)propionicAcid
VU0549416-1
A815566
CHEMBL4450225
W-201891
21640-48-2
AJ-087/41885649
3-Chlorobenzenepropanoic acid
AC-30053
Benzenepropanoic acid, 3-chloro-
AKOS000112332
3-Chlorophenylpropionic acid
Benzenepropanoic acid,3-chloro-

MDL Number

MFCD01310801

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2)?

3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2) is a white to off-white crystalline solid with a molecular weight of 228.63 g/mol. It has a high melting point of 165-167°C and is slightly soluble in water. The compound is reactive towards strong bases and is susceptible to hydrolysis under basic conditions. It is used in the synthesis of pharmaceuticals and as a precursor in organic chemistry.

How is 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2) typically synthesized?

3-(3-chlorophenyl)propanoic acid is typically synthesized through the reaction of 3-chlorophenyl propyl bromide with potassium carbonate. This process involves the use of a solvent such as acetone. The reaction is carried out under basic conditions, generating a high yield of the desired product with good selectivity.

What industries use 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2)?

3-(3-chlorophenyl)propanoic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also utilized as a precursor in the polymer industry for the production of certain types of polymers. Additionally, it is employed in the sensor industry due to its chemical reactivity and in some semiconductor applications for specific functional groups.

What precautions should be taken when handling 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2)?

When handling 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2), it is essential to use proper personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to airborne particles. In case of spills, they should be cleaned up using appropriate absorbent materials and rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.