2-nitro-1H-pyrrole

Basic Information

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CAS Number

5919-26-6

Molecular Formula

C4H4N2O2

Molecular Weight

112.09 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

65.0-66.5 ºC

Boiling Point

100-120 ºC

Flash Point

115.8±19.8 ºC,

Refractive Index

1.6

SMILES

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C1=CNC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C4H4N2O2/c7-6(8)4-2-1-3-5-4/h1-3,5H

InChIKey

FTBBGQKRYUTLMP-UHFFFAOYSA-N

LogP

1.44610

Complexity

98.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-nitro-1H-Pyrrole
NSC 87241
CHEMBL1651441
NSC87241
2-nitro-1H-pyrrole
Pyrrole, 2-nitro-
Alpha-Nitropyrrole
CS-W006647
SY016169
DTXSID30207929
AKOS025394764
nitroazole
1H-Pyrrole, 2-nitro- (9CI)
NSC-87241
1H-Pyrrole, 2-nitro-
BCP34638
MFCD12923841
DB-072601
AKOS006352081
5919-26-6
SCHEMBL29064
A832204
2-Nitropyrrole
AKOS015920232
2-Nitropyrrole;1H-Pyrrole, 2-nitro-
AMY14154
DS-17048

MDL Number

MFCD12923841

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-nitro-1H-pyrrole (CAS: 5919-26-6)?

2-nitro-1H-pyrrole (CAS: 5919-26-6) is a crystalline solid with a molecular weight of approximately 123.05 g/mol. It has a melting point of 88-89°C and is slightly soluble in water. This compound is known for its high reactivity, particularly towards nucleophiles. It is often used in organic synthesis as a precursor to other heterocycles and as a reagent in electrophilic aromatic substitution reactions.

How is 2-nitro-1H-pyrrole (CAS: 5919-26-6) typically synthesized?

2-nitro-1H-pyrrole can be synthesized through the nitration of pyrrole. This process involves treating pyrrole with a nitration mixture, usually consisting of concentrated nitric acid and sulfuric acid. The reaction is typically carried out under reflux to ensure complete nitration. The yield can vary depending on the reaction conditions, but it is generally around 70-85%. This method requires careful handling due to the strong acids involved.

What industries use 2-nitro-1H-pyrrole (CAS: 5919-26-6)?

2-nitro-1H-pyrrole (CAS: 5919-26-6) is widely used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various heterocyclic compounds, which are essential in the development of pharmaceuticals. Additionally, it finds applications in the preparation of organic semiconductors and as a reagent in sensors due to its reactivity and stability.

What precautions should be taken when handling 2-nitro-1H-pyrrole (CAS: 5919-26-6)?

When handling 2-nitro-1H-pyrrole (CAS: 5919-26-6), it is crucial to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of fumes. In the event of a spill, contain the material using absorbent paper and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.