2-Propenoic acid, 3-(nitrophenyl)-

Basic Information

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CAS Number

612-41-9

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

243-245 °C

Boiling Point

329.36°C (rough estimate)

Density

1.4058 (rough estimate)

Flash Point

171.8 °C

Refractive Index

1.5200 (estimate)

SMILES

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

InChI

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

InChIKey

BBQDLDVSEDAYAA-UHFFFAOYSA-N

LogP

1.6925999999999999

Topological Polar Surface Area

80.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

256

Safety Information

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GHS Hazard Pictograms

H315

H319

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

InChI=1/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+
NSC638145
trans-3-(2-nitrophenyl)propenoic acid
F1727-0301
o-Nitrozimtsaure
(E)-3-(2-Nitrophenyl)acrylic acid
A897174
(2E)-3-(2-nitrophenyl)prop-2-enoic acid
2-Propenoic acid, 3-(nitrophenyl)-
MFCD00007189
CCRIS 2339
NSC14018
SMR000368499
CCRIS 1668
NSC-638145
2-Nitrocinnamic acid
J-501880
Z2942852653
CHEMBL1565279
HMS2742K24
1013-96-3
2-Propenoic acid, 3-(2-nitrophenyl)-
UNII-VD7QK30B69
trans-3-(2-Nitrophenyl)acrylic acid
BB 0257993
BBQDLDVSEDAYAA-AATRIKPKSA-
2-NITROBENZENEPROPENOIC ACID
(E)-3-(2-nitrophenyl)prop-2-enoic acid
3-(2-(Hydroxy(oxido)amino)phenyl)acrylic acid
AC-20109
3-(2-nitrophenyl)acrylic acid

MDL Number

MFCD00007189

Customs Code

29163900

FAQ

What are the physical and chemical properties of 2-Propenoic acid, 3-(nitrophenyl) (CAS: 612-41-9)?

2-Propenoic acid, 3-(nitrophenyl) is a crystalline solid with a molecular weight of approximately 184.08 g/mol. It is slightly soluble in water and has a pKa of about 3.5. Chemically, it is highly reactive, readily undergoing nucleophilic substitution and electrophilic addition reactions.

How is 2-Propenoic acid, 3-(nitrophenyl) (CAS: 612-41-9) typically synthesized?

2-Propenoic acid, 3-(nitrophenyl) is typically synthesized via nitration of 2-propenoic acid followed by esterification. Commonly, sulfuric acid is used as a catalyst, and the reaction is performed under controlled temperature to enhance yield and selectivity.

What industries use 2-Propenoic acid, 3-(nitrophenyl) (CAS: 612-41-9)?

2-Propenoic acid, 3-(nitrophenyl) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the development of advanced materials, and in the chemical industry for the production of sensors and semiconductors.

What precautions should be taken when handling 2-Propenoic acid, 3-(nitrophenyl) (CAS: 612-41-9)?

When handling 2-Propenoic acid, 3-(nitrophenyl), ensure proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a cool, dry place away from heat and oxidizers. Use a fume hood during handling and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information.