4-Chlorophenylacetic acid Chemical Properties

Melting point:

102-105 °C(lit.)

Boiling point:

241.44°C (rough estimate)

Density 

1.2315 (rough estimate)

refractive index 

1.5660 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

ethanol: soluble100mg/mL, clear, faintly yellow

pka

4.19(at 25℃)

form 

Powder

color 

White to cream

PH

2.5-3 (100g/l, H2O, 20℃)suspension

BRN 

1072816

InChI

InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

CDPKJZJVTHSESZ-UHFFFAOYSA-N

SMILES

C1(CC(O)=O)=CC=C(Cl)C=C1

CAS DataBase Reference

1878-66-6(CAS DataBase Reference)

NIST Chemistry Reference

Acetic acid, p-chlorophenyl-(1878-66-6)

EPA Substance Registry System

p-Chlorophenylacetic acid (1878-66-6)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21-36/37/38

Safety Statements 

36/37-24/25-36-26

WGK Germany 

3

RTECS 

AG0590000

F 

13

TSCA 

Yes

HS Code 

29163900

Toxicity

mouse,LD50,intraperitoneal,1350mg/kg (1350mg/kg),Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958.

MSDS

• Language:English Provider:PCPA
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Chlorophenylacetic acid Usage And Synthesis

Chemical Properties

white to cream colored powder

Uses

4-Chlorophenylacetic Acid is a chlorinated phenyl acetic acid that is an antitumor differentiation inducer and may be an effective therapeutic agent in neuroblastoma therapy. 4-Chlorophenylacetic Acid shows plant growth-regulating activity.

Uses

4-Chlorophenylacetic acid was used to study the mechanism of aerobic degradation of 1,1-dichloro-2,2-bis(4-chlorophenyl)ethane by Ralstonia eutropha A5.

Definition

ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.

General Description

4-Chlorophenylacetic acid possess anticancer properties. It is a novel therapeutic agent which can be useful in prevention or treatment of estrogen-sensitive breast cancer. It acts as carbon and energy supplement and is degraded by Pseudomonas sp. strain CBS3.

Purification Methods

Purify it as for 3-chlorophenylacetic acid. [Beilstein 9 III 2263, 9 IV 1674.]

4-Chlorophenylacetic acid(1878-66-6)Related Product Information

• Folic acid
• Stearic acid
• 4-Chlorobenzoic acid
• 4'-CHLOROACETANILIDE
• 4-Chlorobenzaldehyde
• Chlorphenamine maleate
• 4-Hydroxyphenylacetic acid
• Acetic acid
• Citric acid
• 4-Chlorophenoxyacetic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• Ethyl acetate
• 4'-Chloroacetophenone
• 4-Hydrazinobenzene-1-sulfonamide hydrochloride
• 2-(4-Chlorophenoxy)-2-methylpropionic acid
• 4-CHLOROBENZOYLACETONITRILE
• Ascoric Acid
• 4-Chlorostyrene