5-Nitro-1H-pyrazole

Basic Information

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CAS Number

26621-44-3

Molecular Formula

C3H3N3O2

Molecular Weight

113.08 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

174.0 to 178.0 deg-C

Boiling Point

333.9℃ at 760 mmHg

Density

1.552

Flash Point

155.8℃

Refractive Index

1.612

SMILES

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C1=C(NN=C1)[N+](=O)[O-]

InChI

InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)

InChIKey

MZRUFMBFIKGOAL-UHFFFAOYSA-N

LogP

0.84110

Complexity

99.2

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID20181168
26621-44-3
1H-Pyrazole, 3-nitro-
W-202132
5-nitropyrazole
5-NITRO-1H-PYRAZOL
BB 0218123
aci-nitropyrazole
RS-0374
FT-0648298
AKOS000307940
MFCD00159621
SCHEMBL13011421
HY-W002457
5-nitro-1H-pyrazole
SCHEMBL938
Pyrazole, 3-nitro-
MFCD00238787
A5253
Djw 94
Djw-94
3-Nitro-1H-pyrazole, AldrichCPR
3-Nitropyrazole
BB 0257637
Z449369080
3-nitro-(1H)pyrazole
PS-4339
3-Nitro-pyrazole
AM20090327
EN300-43788
CS-W002457

MDL Number

MFCD00159621

FAQ

What are the physical and chemical properties of 5-Nitro-1H-pyrazole (CAS: 26621-44-3)?

5-Nitro-1H-pyrazole is a crystalline solid with a molecular weight of approximately 141.07 g/mol. It has a melting point of 220-222°C and is slightly soluble in water. This compound is known for its reactivity, particularly towards nucleophilic substitution and reduction reactions.

How is 5-Nitro-1H-pyrazole (CAS: 26621-44-3) typically synthesized?

5-Nitro-1H-pyrazole can be synthesized through the nitration of 1H-pyrazole using nitric acid in the presence of sulfuric acid as a catalyst. The reaction typically yields 5-Nitro-1H-pyrazole in good to high selectivity with a yield of around 75-85%.

What industries use 5-Nitro-1H-pyrazole (CAS: 26621-44-3)?

5-Nitro-1H-pyrazole is primarily used in the pharmaceutical industry for the synthesis of various drugs, particularly those involving nitrogen-containing heterocycles. It is also used in the polymer industry as a precursor for the synthesis of advanced materials and in the semiconductor industry for the development of electronic devices.

What precautions should be taken when handling 5-Nitro-1H-pyrazole (CAS: 26621-44-3)?

When handling 5-Nitro-1H-pyrazole, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its potential for respiratory irritation. In case of a spill, use appropriate spill cleanup procedures and handle under a fume hood. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and safety measures.