| Identification | More | [Name]
3-(4-Nitrophenyl)propanoic acid | [CAS]
16642-79-8 | [Synonyms]
3-(4-NITROPHENYL)PROPANOIC ACID
3-(4-NITROPHENYL)PROPIONIC ACID
3-(4-NITROPHENYL)PROPIONIC ACID,98.26+%
3-(4-NITROPHENYL)PROPIONIC
4-Nitrobenzenepropanoic acid
4-Nitrobenzenepropionic acid | [EINECS(EC#)]
672-244-1 | [Molecular Formula]
C9H9NO4 | [MDL Number]
MFCD00126834 | [Molecular Weight]
195.17 | [MOL File]
16642-79-8.mol |
| Chemical Properties | Back Directory | [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 | [form ]
solid | [pka]
4.47(at 25℃) | [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) |
| Hazard Information | Back Directory | [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monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group.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 |
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