3-(4-Nitrophenyl)propanoic acid Chemical Properties

Melting point:

167-170°C

Boiling point:

331.83°C (rough estimate)

Density 

1.3544 (rough estimate)

refractive index 

1.5700 (estimate)

storage temp. 

Sealed in dry,Room Temperature

pka

4.47(at 25℃)

form 

solid

color 

yellow

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)

InChIKey

VZOPVJNBOQOLPN-UHFFFAOYSA-N

SMILES

C1(CCC(O)=O)=CC=C([N+]([O-])=O)C=C1

CAS DataBase Reference

16642-79-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38-20/21/22

Safety Statements 

26-36/37/39

Hazard Note 

Harmful

HS Code 

29163990

3-(4-Nitrophenyl)propanoic acid Usage And Synthesis

Chemical Properties

Yellow to brown solid

Uses

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Definition

ChEBI: A monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group.

Synthesis Reference(s)

Synthetic Communications, 25, p. 3067, 1995 DOI: 10.1080/00397919508011439

3-(4-Nitrophenyl)propanoic acid(16642-79-8)Related Product Information

• TRIS(4-NITROPHENYL) PHOSPHATE
• Propionic acid
• (S)-(+)-2-Phenylpropionic acid
• Phenylacetone
• Nitrobenzene
• L-4-Nitrophenylalanine methyl ester hydrochloride
• Nitromethane
• ACENOCOUMAROL
• BOC-PHE(4-NO2)-OH DCHA
• ETHYL 4-NITROBENZOYLACETATE
• 4-NITRO-DL-PHENYLALANINE
• Fmoc-4-nitro-L-phenylalanine
• 4-Nitro-L-phenylalanine monohydrate
• 4-NITROPHENYLSUCCINIC ACID
• BOC-4-NITRO-L-PHENYLALANINE
• BOC-D-4-Nitrophe
• BOC-L-4-Nitrophe
• (2R)-2-amino-3-(4-nitrophenyl)propanoic acid