4-nitroquinolin-1-ium-1-olate

Basic Information

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CAS Number

56-57-5

Molecular Formula

C9H6N2O3

Molecular Weight

190.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

154-156 °C

Boiling Point

325.64°C (rough estimate)

Flash Point

188.2 °C

Solubility

acetone: clear to hazy

Refractive Index

1.5570 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H

InChIKey

YHQDZJICGQWFHK-UHFFFAOYSA-N

LogP

2.69970

Complexity

229

Safety Information

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GHS Hazard Pictograms

H350

Hazard Statement

H350 May cause cancer
Carcinogenicity

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Hygroscopic, light-sensitive. Incompatible with strong oxidizing agents.

Synonyms & References

English

4-NITROQUINOLINE-N-OXIDE [HSDB]
4-nitro-1-oxidoquinolin-1-ium
BIDD:ER0541
4-NITROQUINOLINE-N-OXIDE
4-Nitroquinoline N-oxide
Nitrochin
NSC 19645
4-Nitroquinolin-1-oxide
4-nitroquinolin-1-ol
AI3-60200
CS-D0398
SB67483
WLN: T66 BNJ BO ENW
4-Nitroquinoline N-oxide, >=98%
4-Nitroquinoline 1-Oxide; 4-Nitroquinoline N-Oxide
NSC-19645
NITROQUINOLINE 1-OXIDE, 4-
J-800475
EX-A4093
4-Nitrochinolin N-oxid
Q4637188
DTXSID5025780
J-515890
FT-0619297
X5081510EV
4-Nitroquinoline N-oxide, analytical standard
4-nitroquinoline1-oxide
CHEMBL127655
MFCD00006738
4-Nitroquinoline oxide
Quinoline, 4-nitro-, oxide

MDL Number

MFCD00006738

Customs Code

29339900

FAQ

What are the physical and chemical properties of 4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5)?

4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5) is a crystalline solid with a molecular weight of approximately 235.08 g/mol. It has a solubility of about 1.5 g/L in water and is slightly soluble in organic solvents. The compound shows moderate reactivity, particularly towards nucleophiles and reductive conditions. It can undergo nitro reduction and electrophilic aromatic substitution reactions.

How is 4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5) typically synthesized?

4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5) is typically synthesized by the condensation of 4-nitroquinoline with sodium hydroxide to form the corresponding 1-olate salt. Common methods include the use of a 1:1 molar ratio of 4-nitroquinoline and sodium hydroxide in aqueous conditions. The reaction is carried out under basic conditions to ensure the formation of the 1-olate salt.

What industries use 4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5)?

4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5) is used in various industries. It serves as a precursor in the synthesis of pharmaceutical compounds, particularly in the development of drugs targeting biological pathways involving quinoline structures. Additionally, it finds applications in the production of sensors and semiconductors, where its unique chemical properties are utilized.

What precautions should be taken when handling 4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5)?

When handling 4-nitroquinolin-1-ium-1-olate (CAS: 56-57-5), it is essential to wear 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 immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and proper handling guidelines.