4-Nitrocinnamic acid

Basic Information

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CAS Number

619-89-6

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

Physical State

Yellow cryst.

Melting Point

289 °C (dec.)

Boiling Point

346 ℃ at 760 mmHg

Density

1.4058 (rough estimate)

Flash Point

153.9 °C

Refractive Index

1.5200 (estimate)

SMILES

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

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 Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-(4-Nitrophenyl)acrylic acid
4-Nitrocinnamic acid,predominantly trans
4-Nitrocinnamic acid
RARECHEM BK HC P253
TRANS-3-(3-NITROPHENYL)PROPENOIC ACID
TRANS-3-NITROCINNAMIC ACID
3-(3-NITROPHENYL)ACRYLIC ACID
AKOS B004090
(2E)-3-(4-Nitrophenyl)-2-propenoic acid
(2E)-3-(4-Nitrophenyl)Acrylic Acid
(E)-3-(4-nitrophenyl)-2-propenoic acid
(E)-3-(4-Nitrophenyl)acrylic acid
p-Nitrocinnamicacid
4-Nitrociamic acid
4-nitrocinnamate acid
4-nitrocinnamic acide
p-nitro-cinnamicaci
3-(4-Nitrophenyl)-2-propenoic acid
p-Nitrocinnamic acid
Cinnamic acid, p-nitro-
2-Propenoic acid, 3-(4-nitrophenyl)-
3-(4-Nitrophenyl)propenoic acid
trans-4-Nitrocinnamic acid
(2E)-3-(4-nitrophenyl)prop-2-enoic acid
2-Propenoic acid, 3-(4-nitrophenyl)-, (2E)-
(E)-3-(4-nitrophenyl)prop-2-enoic acid
XMMRNCHTDONGRJ-ZZXKWVIFSA-N
NSC638142
Akos 369
A
CHEMBL99068

MDL Number

MFCD00007381

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Nitrocinnamic acid (CAS: 619-89-6)?

4-Nitrocinnamic acid (CAS: 619-89-6) is a white crystalline solid with a molecular weight of approximately 192.08 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases to form the corresponding salt. It has a melting point of about 235-238°C.

How is 4-Nitrocinnamic acid (CAS: 619-89-6) typically synthesized?

4-Nitrocinnamic acid (CAS: 619-89-6) is typically synthesized by nitration of cinnamic acid in the presence of a catalyst like concentrated sulfuric acid. The nitration reaction is exothermic and should be performed in a well-ventilated environment with temperature control. The yield is around 75-80%, and the purity can be enhanced through recrystallization.

What industries use 4-Nitrocinnamic acid (CAS: 619-89-6)?

4-Nitrocinnamic acid (CAS: 619-89-6) finds applications in the pharmaceutical industry for the synthesis of certain intermediates and in the sensor industry for developing pH and acid-base indicators. It is also used in research for dye synthesis and in the preparation of metal complexes.

What precautions should be taken when handling 4-Nitrocinnamic acid (CAS: 619-89-6)?

When handling 4-Nitrocinnamic acid (CAS: 619-89-6), wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood. Handle with care to avoid skin contact and inhalation of dust. Spills should be cleaned up promptly using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information.