4-Nitrocinnamic acid

Basic Information

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CAS Number

882-06-4

Molecular Formula

C9H7NO4

Molecular Weight

193.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

292-293 ºC

Boiling Point

346 ºC

Density

1.411

Water Solubility

Insoluble in water.

Flash Point

154 ºC

SMILES

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C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+

InChIKey

XMMRNCHTDONGRJ-ZZXKWVIFSA-N

LogP

2.21580

Complexity

248

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

trans-4-nitrocinnamic acid
(2E)-3-(4-nitrophenyl)prop-2-enoic acid
(2E)-3-[4-(HYDROXYNITROSO)PHENYL]PROP-2-ENOIC ACID
(E)-3-(4-nitrophenyl)-2-propenoic acid
(E)-3-(4-nitrophenyl)acrylic acid
(E)-4-Nitrocinnamic acid
3-(4-nitrophenyl)acrylic acid
3-(4-nitrophenyl)prop-2-enoic acid
3-{4-nitrophenyl}acrylic acid
4'-NITROCINNAMIC ACID
4-NITROCINNAMIC ACID
4'-NITROCINNAMIC ACID FOR SYNTHESIS
(E)-p-Nitrocinnamic acid
(2E)-3-(4-Nitrophenyl)-2-propenoic acid
trans-p-Nitrocinnamic acid
(2E)-3-(4-Nitrophenyl)-2-propenoic acid (ACI)
2-Propenoic acid, 3-(4-nitrophenyl)-, (E)- (ZCI)
Cinnamic acid, p-nitro-, (E)- (8CI)
(E)-3-(4-Nitrophenyl)-2-propenoic acid
(E)-3-(4-Nitrophenyl)acrylic acid
trans-4-Nitrocinnamic acid
p-Nitrocinnamic acid
CHEMBL99068
(e)-4-nitrocinnamic acid
NSC-638142
619-89-6
SCHEMBL277169
BBL009860
4-Nitrocinnamic acid
3-(4-Nitrophenyl)propenoic acid
InChI=1/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+

MDL Number

MFCD00007381

FAQ

What are the physical and chemical properties of 4-Nitrocinnamic acid (CAS: 882-06-4)?

4-Nitrocinnamic acid (CAS: 882-06-4) is a white crystalline solid with a molecular weight of approximately 183.07 g/mol. It is sparingly soluble in water and organic solvents like ethanol and acetone. Chemically, it is highly reactive and prone to nitration and reduction reactions.

How is 4-Nitrocinnamic acid (CAS: 882-06-4) typically synthesized?

4-Nitrocinnamic acid (CAS: 882-06-4) is typically synthesized by nitration of cinnamic acid. The reaction is carried out using concentrated nitric acid and sulfuric acid as the oxidizing agent. The yield is around 80%, with good selectivity for the nitro group addition.

What industries use 4-Nitrocinnamic acid (CAS: 882-06-4)?

4-Nitrocinnamic acid (CAS: 882-06-4) is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also applied in the production of photoresists for semiconductor fabrication and as a component in some polymer materials.

What precautions should be taken when handling 4-Nitrocinnamic acid (CAS: 882-06-4)?

When handling 4-Nitrocinnamic acid (CAS: 882-06-4), it is essential to wear protective equipment such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during handling. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.