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

Basic Information

View in Editor

CAS Number

55864-87-4

Molecular Formula

C6H7N3O4

Molecular Weight

185.14 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

Basic Physical Properties

Melting Point

124-126 ºC (benzene ligroine )

Boiling Point

365.022°C at 760 mmHg

Density

1.455±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

174.559°C

Refractive Index

1.57

SMILES

View in Editor

CCOC(=O)c1n[nH]cc1[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-2-13-6(10)5-4(9(11)12)3-7-8-5/h3H,2H2,1H3,(H,7,8)

InChIKey

GNGKEGKMDXAMKJ-UHFFFAOYSA-N

LogP

1.01780

Complexity

214

Synonyms & References

English

Ethyl 4-nitro-1H-pyrazole-3-carboxylate
4-Nitro-1H-pyrazole-3-carboxylic acid ethyl ester
Ethyl 4-nitro-1H-pyrazole-5-carboxylate
NSC360636
Ethyl 4-nitropyrazole-3-carboxylate
NSC 360636
GNGKEGKMDXAMKJ-UHFFFAOYSA-N
1H-Pyrazole-3-carboxylic acid, 4-nitro-, ethyl ester
ethyl 4-nitropyrazole-5-carboxylate
3-ethoxycarbonyl-4-nitropyrazole
STK788224
SBB019158
AB04670
N

MDL Number

MFCD00195040

Customs Code

2933199090

FAQ

What are the physical and chemical properties of Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4)?

Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4) is a crystalline compound with a molecular weight of approximately 218.12 g/mol. It has a solubility of 0.5 g/100 mL in water and exhibits moderate solubility in common organic solvents. The compound is known for its reactivity, particularly towards nucleophilic substitution and reduction reactions.

How is Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4) typically synthesized?

Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4) is typically synthesized via the nitration of ethyl pyrazole-3-carboxylate. The nitration process is carried out using nitric acid in the presence of sulfuric acid as a catalyst. The yield is around 70-80% with good selectivity to the desired nitro product.

What industries use Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4)?

Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4) is utilized in the pharmaceutical industry for the synthesis of various drug precursors. It is also employed in the polymer industry as a precursor for the synthesis of functionalized polymers. Additionally, it has applications in the development of gas sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4)?

When handling Ethyl 4-nitro-1H-pyrazole-3-carboxylate (CAS: 55864-87-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place away from sources of heat and ignition. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.