1-Methyl-4-nitro-1H-pyrazole

Basic Information

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CAS Number

82208-47-7

Molecular Formula

C4H5N3O2

Molecular Weight

127.1 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

Boiling Point

244.4°C at 760 mmHg

Density

1.44

Flash Point

101.6°C

Refractive Index

1.618

SMILES

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CN1C=C(C=N1)[N+](=O)[O-]

InChI

InChI=1S/C4H5N3O2/c1-6-3-4(2-5-6)7(8)9/h2-3H,1H3

InChIKey

CZVJIVYLYOVBRP-UHFFFAOYSA-N

LogP

0.85150

Complexity

122

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Nitro-1-methylpyrazole
1-Methyl-4-nitro-1H-pyrazole #
A852466
3994-50-1
FT-0679624
MFCD00464261
1-Methyl-4-nitro-1H-pyrazole
82208-47-7
1-Methyl-4-nitro-1H-pyrazole, AldrichCPR
AC-31215
1H-Pyrazole, 1-methyl-4-nitro-
1-Methyl-4-nitro-1H-pyrazole, radical ion(1-)
PYRAZOLE, 1-METHYL-4-NITRO-
1H-Pyrazole, 1-methyl-4-nitro-, radical ion(1-)
CS-W002627
SY005889
F8889-8426
1-methyl-4-nitro-1H-pyrazole;1-Methyl-4-nitropyrazole
1-Methyl-4-nitropyrazole
DS-2159
EN300-77101
BB 0255092
SCHEMBL742906
PB48904
AMY4635
BCP29818
Z821315474
1-methyl-4-nitro-pyrazole
FT-0688414
AKOS000309399
AKOS015922537

MDL Number

MFCD00464261

FAQ

What are the physical and chemical properties of 1-Methyl-4-nitro-1H-pyrazole (CAS: 82208-47-7)?

1-Methyl-4-nitro-1H-pyrazole is a crystalline solid with a molecular weight of approximately 168.08 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo nitro group reduction under basic conditions. Its melting point is around 142-144°C.

How is 1-Methyl-4-nitro-1H-pyrazole (CAS: 82208-47-7) typically synthesized?

1-Methyl-4-nitro-1H-pyrazole is commonly synthesized via the nitration of 1-methyl-1H-pyrazole. The nitration reaction can be achieved using fuming nitric acid in the presence of sulfuric acid as a catalyst. The yield is typically around 85-90%, and the product is isolated by recrystallization from ethanol.

What industries use 1-Methyl-4-nitro-1H-pyrazole (CAS: 82208-47-7)?

1-Methyl-4-nitro-1H-pyrazole is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly those involving nitro groups. It also finds applications in the production of dyes, polymers, and as a starting material for sensor development. Its use in semiconductors is less common but possible due to its electronic properties.

What precautions should be taken when handling 1-Methyl-4-nitro-1H-pyrazole (CAS: 82208-47-7)?

When handling 1-Methyl-4-nitro-1H-pyrazole, it is crucial to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution using appropriate absorbents, and the area should be cleaned thoroughly. Always consult the Safety Data Sheet (SDS) for detailed safety information.