dimethyl 1H-pyrazole-3,5-dicarboxylate

Basic Information

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CAS Number

4077-76-3

Molecular Formula

C7H8N2O4

Molecular Weight

184.15 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

151-152 ºC

Boiling Point

344 ºC

Flash Point

162 ºC

SMILES

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COC(=O)C1=CC(=NN1)C(=O)OC

InChI

InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)

InChIKey

SIPQVJNEQSWAOK-UHFFFAOYSA-N

LogP

-0.01710000000000006

Topological Polar Surface Area

81.28000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

219

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Dimethyl 1H-pyrazole-3,5-dicarboxylate
1H-pyrazole-3,5-dicarboxylic acid dimethyl ester
3,5-dimethyl 1H-pyrazole-3,5-dicarboxylate
DimethylPyrazole-3,5-dicarboxylate
dimethylpyrazoledicarboxylate
Pyrazol-3,5-dicarbonsaeure-dimethylester
pyrazole-3,5-dicarboxylic acid dimethyl ester
3,5-Bis(methoxycarbonyl)pyrazole
3,5-Dicarbomethoxypyrazole
1H-Pyrazole-3,5-dicarboxylic acid 3,5-dimethyl ester
Dimethyl 3,5-pyrazoledicarboxylate
Dimethyl Pyrazole-3,5-dicarboxylate
MLS000694894
1H-Pyrazole-3,5-dicarboxylic acid, dimethyl ester
SMR000334768
Dimethyl1H-pyrazole-3,5-dicarboxylate
3,5-bis(methoxyformyl)pyrazole
BDBM75021
cid_1484491
SIPQVJNEQSWAOK-UHFFFAOYSA-N
HMS2663G05
dimethyl-3,5-pyrazoledicarboxylate
SBB09012
SBB090123
5546AB
Z1201620743
DB-070085
STL583839
J-520347
SY027831
AMY3050

MDL Number

MFCD00975602

FAQ

What regulatory guidelines apply to dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3)?

Dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a chemical reagent, and manufacturers and users must comply with specific handling, storage, and disposal guidelines to ensure safety and environmental protection.

Are there alternatives to dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) in synthesis?

While dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) is a versatile reagent, there are alternatives such as other dicarboxylic acids or pyrazole derivatives. Isomers or analogs like 1H-pyrazole-3,5-dicarboxylic acid may be used depending on the specific requirements of the synthesis, offering potential for reduced cost or improved reactivity.

What is the market or research trend for dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3)?

Dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) is gaining attention in various research fields, particularly in organic synthesis, pharmaceuticals, and materials science. Market trends indicate increasing demand due to its utility in developing new materials and pharmaceuticals. Research is also focusing on exploring its potential in sustainable chemical processes and green chemistry applications.

How should waste containing dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) be handled?

Waste containing dimethyl 1H-pyrazole-3,5-dicarboxylate (CAS: 4077-76-3) should be collected in appropriate containers and handled according to local and international regulations. Incineration or professional waste disposal services should be utilized to ensure proper disposal. Environmental protection measures include minimizing spillage and adhering to safety protocols to prevent contamination of soil and water sources.