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16642-79-8

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16642-79-8 Structure

16642-79-8 Structure
IdentificationMore
[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 PropertiesBack 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
[pka]

4.47(at 25℃)
[Water Solubility ]

Slightly soluble in water.
[CAS DataBase Reference]

16642-79-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-20/21/22
[Safety Statements ]

26-36/37/39
[Hazard Note ]

Harmful
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Chloroform-->Sodium sulfate-->Triethylamine-->Formic acid-->Activated carbon-->2,2-Dimethyl-1,3-dioxane-4,6-dione-->4-Nitrobenzaldehyde
[Preparation Products]

Benzenepropanoic acid, 4-nitro-, 1,1-dimethylethyl ester-->3-(4-Nitrophenyl)propionyl chloride
Hazard InformationBack 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monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group.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
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-Nitrophenyl)propanoic acid(16642-79-8)FT-IR
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