4-(Ethylamino)-3-nitrobenzoic acid

Basic Information

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CAS Number

2788-74-1

Molecular Formula

C9H10N2O4

Molecular Weight

210.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CCNc1ccc(cc1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H10N2O4/c1-2-10-7-4-3-6(9(12)13)5-8(7)11(14)15/h3-5,10H,2H2,1H3,(H,12,13)

InChIKey

XPLTXYDVYDWSSO-UHFFFAOYSA-N

LogP

2.32100

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(Ethylamino)-3-nitrobenzoic acid
4-ETHYLAMINO-3-NITRO-BENZOIC ACID
Benzoic acid,4-(ethylamino)-3-nitro-

MDL Number

MFCD00546760

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 4-(Ethylamino)-3-nitrobenzoic acid (CAS: 2788-74-1)?

4-(Ethylamino)-3-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 238.15 g/mol. It has a low solubility in water (2.6 g/L at 20°C) but good solubility in organic solvents like methanol and ethanol. The compound is moderately reactive, particularly towards reducing agents and bases. It can form complexes with metals and exhibits color changes in certain acidic or basic solutions.

How is 4-(Ethylamino)-3-nitrobenzoic acid (CAS: 2788-74-1) typically synthesized?

4-(Ethylamino)-3-nitrobenzoic acid can be synthesized via the amination of 3-nitrobenzoic acid with ethylamine followed by a coupling reaction. Commonly, the synthesis involves the nitro group being reduced to an amino group using hydrazine or sodium borohydride, followed by the amination step. The reaction typically provides a yield of 70-80%, and the process requires mild conditions to prevent decomposition.

What industries use 4-(Ethylamino)-3-nitrobenzoic acid (CAS: 2788-74-1)?

4-(Ethylamino)-3-nitrobenzoic acid finds applications in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymer properties and in the development of sensors due to its spectroscopic and electrochemical properties. Additionally, it is explored in the semiconductor industry for its potential use in organic semiconductor materials.

What precautions should be taken when handling 4-(Ethylamino)-3-nitrobenzoic acid (CAS: 2788-74-1)?

Handling 4-(Ethylamino)-3-nitrobenzoic acid requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions to ensure safety during laboratory procedures.