Methyl 4-nitro-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

138786-86-4

Molecular Formula

C5H5N3O4

Molecular Weight

171.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

SMILES

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

InChI

InChI=1S/C5H5N3O4/c1-12-5(9)4-3(8(10)11)2-6-7-4/h2H,1H3,(H,6,7)

InChIKey

ARAFBUCGMOKZMI-UHFFFAOYSA-N

LogP

0.62770

Complexity

201

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS025394354
methyl 4-nitro-1H-pyrazole-3-carboxylate
A887888
138786-86-4
1345513-95-2
Methyl4-nitro-1H-pyrazole-3-carboxylate
4-Nitro-2H-pyrazole-3-carboxylic acid methyl ester
methyl 4-nitro-1H-pyrazole-5-carboxylate
methyl4-nitro-1H-pyrazole-5-carboxylate
AMY4867
J-522684
1H-Pyrazole-3-carboxylicacid,4-nitro-,methyl ester
1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-NITRO-, METHYL ESTER
CS-W009019
BENZENESULFONAMIDE, 4-PROPYL-
EN300-137315
ARAFBUCGMOKZMI-UHFFFAOYSA-N
AB06361
AKOS001727310
methyl 4-nitropyrazole-3-carboxylate
RS-0354
4-NITRO-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
SCHEMBL546991
BB 0254246
SY029522
MFCD00475939
AC-28861
AKOS005169305
FT-0679403
MFCD00505604
Methyl 4-nitro-1H-pyrazole-3-carboxylate

MDL Number

MFCD00475939

FAQ

What are the physical and chemical properties of Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4)?

Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4) is a crystalline solid with a molecular weight of approximately 219.12 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is also susceptible to hydrolysis under basic conditions.

How is Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4) typically synthesized?

Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4) is commonly synthesized via a multi-step process involving the nitration of 4-hydroxy-1H-pyrazole-3-carboxylic acid methyl ester followed by esterification. The synthesis typically uses nitric acid as the oxidizing agent and sulfuric acid as a catalyst. The reaction is carried out under acidic conditions and the product is isolated by recrystallization.

What industries use Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4)?

Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4) is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It also finds applications in the synthesis of materials for sensors and semiconductors, particularly in the development of organic electronic devices.

What precautions should be taken when handling Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4)?

When handling Methyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 138786-86-4), safety goggles and gloves should be worn to prevent skin contact and eye irritation. It should be stored in a well-ventilated area and away from heat sources and strong acids. In case of a spill, it should be immediately cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.