5-Nitroquinolin-3-amine

Basic Information

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CAS Number

98589-84-5

Molecular Formula

C9H7N3O2

Molecular Weight

189.17 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC2=C(C=C(C=N2)N)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2/c10-6-4-7-8(11-5-6)2-1-3-9(7)12(13)14/h1-5H,10H2

InChIKey

SRERDBOBCFEVHH-UHFFFAOYSA-N

LogP

1.7251999999999998

Topological Polar Surface Area

82.05 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

229

Synonyms & References

English

5-Nitroquinolin-3-amine
5-nitroquinolin-3-amine
SCHEMBL7717642
AKOS023411676
AS-32805
SB68472
DB-253453
SRERDBOBCFEVHH-UHFFFAOYSA-N
CS-0201251
98589-84-5
3-Amino-5-nitroquinoline
MFCD28133463

MDL Number

MFCD28133463

FAQ

What are the physical and chemical properties of 5-Nitroquinolin-3-amine (CAS: 98589-84-5)?

5-Nitroquinolin-3-amine (CAS: 98589-84-5) is a crystalline, solid compound with a molecular weight of approximately 216.13 g/mol. It has a pKa of 7.8 and is slightly soluble in water. This compound is known for its reactivity, particularly towards nucleophilic substitution reactions, and it can form stable complexes with metal ions.

How is 5-Nitroquinolin-3-amine (CAS: 98589-84-5) typically synthesized?

5-Nitroquinolin-3-amine is typically synthesized through the reduction of 5-nitroquinoline derivatives using hydrazine hydrate. The reaction proceeds through a condensation followed by an amination step, yielding high selectivity and good yield. Catalysts such as palladium or copper can be employed to enhance the reaction efficiency.

What industries use 5-Nitroquinolin-3-amine (CAS: 98589-84-5)?

5-Nitroquinolin-3-amine is widely used in the pharmaceutical industry for the synthesis of various bioactive compounds. It is also utilized in the polymer industry for the modification of polymer properties and in semiconductor manufacturing for doping processes. Additionally, it has applications in sensor technology due to its ability to form stable complexes with metal ions.

What precautions should be taken when handling 5-Nitroquinolin-3-amine (CAS: 98589-84-5)?

When handling 5-Nitroquinolin-3-amine (CAS: 98589-84-5), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up with caution, using appropriate absorbent materials. For detailed safety information, refer to the safety data sheet (SDS).