4-Nitro-1H-pyrazole

Basic Information

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CAS Number

2075-46-9

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

Physical State

White to Yellow Solid

Melting Point

160.0 to 164.0 deg-C

Boiling Point

323°C

Density

1.5520

Flash Point

155.8℃

Refractive Index

1.612

SMILES

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C1=C(C=NN1)[N+](=O)[O-]

InChI

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

InChIKey

XORHNJQEWQGXCN-UHFFFAOYSA-N

LogP

0.84110

Complexity

99.2

Safety Information

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GHS Hazard Pictograms

H302

H318

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

BB 0257959
AF-625/00306041
SCHEMBL163689
EN300-30405
J-515862
MFCD00159626
4-NO2-pyrazole
AKOS000304521
2075-46-9
F2147-0932
4-Nitro-1H-pyrazole, 97%
SB35228
AM20090169
BCP26162
1H-Pyrazole, 4-nitro-
NB-0818
4-NITROPYRRAZOLE
4-nitropyrazol
4-Nitro-1H-pyrazole;1H-Pyrazole, 4-nitro-
CS-W002458
4-Nitropyrazole
4-Nitro-1H-pyrazole #
4-nitro-1-H-pyrazole
4-Nitro-1H-pyrazole
1H-Pyrazole-4-nitro
PYRAZOLE, 4-NITRO-
AC-4814
A929152
Z235361263
SY005156
J-013591

MDL Number

MFCD00159626

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 4-Nitro-1H-pyrazole (CAS: 2075-46-9)?

4-Nitro-1H-pyrazole (CAS: 2075-46-9) is a white crystalline solid with a molecular weight of 145.05 g/mol. It has a melting point of 259-260°C and is slightly soluble in water. This compound shows good stability under normal conditions but can be reactive in the presence of strong acids or bases. It is used in various chemical reactions due to its electronic properties.

How is 4-Nitro-1H-pyrazole (CAS: 2075-46-9) typically synthesized?

4-Nitro-1H-pyrazole (CAS: 2075-46-9) is commonly synthesized via the nitration of 1H-pyrazole. This process involves the reaction of 1H-pyrazole with nitric acid in the presence of a suitable catalyst, such as sulfuric acid. The yield is usually around 80-85%, and the product is isolated by recrystallization from aqueous solvent.

What industries use 4-Nitro-1H-pyrazole (CAS: 2075-46-9)?

4-Nitro-1H-pyrazole (CAS: 2075-46-9) is utilized in pharmaceuticals for the synthesis of certain drug intermediates. It also finds applications in the development of sensors, semiconductors, and polymers due to its unique electronic properties. Its use in these industries leverages its stability and reactivity under various conditions.

What precautions should be taken when handling 4-Nitro-1H-pyrazole (CAS: 2075-46-9)?

When handling 4-Nitro-1H-pyrazole (CAS: 2075-46-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be immediately cleaned up with appropriate absorbents, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.