2-Amino-4-nitrobenzonitrile

Basic Information

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CAS Number

87376-25-8

Molecular Formula

C7H5N3O2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

414.1℃ at 760 mmHg

SMILES

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N#Cc1ccc(cc1N)[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,9H2

InChIKey

WLKYODIBWNIWDK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

227

Safety Information

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Hazard Statement

Synonyms & References

English

2-Amino-4-nitrobenzonitrile
Benzonitrile, 2-amino-4-nitro-
2-Cyano-5-nitroaniline
2-amino-4-nitro-benzonitrile
PubChem19825
KSC447O6L
WLKYODIBWNIWDK-UHFFFAOYSA-N
2-amino-4-nitrobenzenecarbonitrile
SBB087675
2-azanyl-4-nitro-benzenecarbonitrile
CL8143
EN000335
ST2409514
AB0027161
W8963
A842115
J
2-amino-4-nitrobenzonitrile
2-Amino-4-nitrobenzonitrile (ACI)

MDL Number

MFCD04117876

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Amino-4-nitrobenzonitrile (CAS: 87376-25-8)?

2-Amino-4-nitrobenzonitrile is a crystalline solid with a molecular weight of approximately 224.12 g/mol. It has a solubility of about 1.5 g/100 mL in water and is sparingly soluble in polar solvents. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions.

How is 2-Amino-4-nitrobenzonitrile (CAS: 87376-25-8) typically synthesized?

2-Amino-4-nitrobenzonitrile can be synthesized by reacting 4-nitrobenzonitrile with ammonia in the presence of a catalyst such as cupric oxide (CuO). The reaction involves a nucleophilic aromatic substitution at the amino position, with good yield and selectivity.

What industries use 2-Amino-4-nitrobenzonitrile (CAS: 87376-25-8)?

2-Amino-4-nitrobenzonitrile is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of dyes and intermediates for the polymer and semiconductor industries.

What precautions should be taken when handling 2-Amino-4-nitrobenzonitrile (CAS: 87376-25-8)?

When handling 2-Amino-4-nitrobenzonitrile, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be performed in a fume hood to minimize inhalation risks. In case of a spill, immediate action should be taken to clean up the area and refer to the safety data sheet (SDS) for detailed instructions.