Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate

Basic Information

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CAS Number

135590-91-9

Molecular Formula

C16H18Cl2N2O4

Molecular Weight

373.24 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

50.0 to 54.0 deg-C

Boiling Point

451.1 °C at 760 mmHg

Density

1.3400

Flash Point

226.6 °C

Refractive Index

1.576

SMILES

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CCOC(=O)C1=NN(C(C1)(C)C(=O)OCC)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3

InChIKey

OPGCOAPTHCZZIW-UHFFFAOYSA-N

LogP

3.4444000000000026

Topological Polar Surface Area

68.2 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

528

Safety Information

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GHS Hazard Pictograms

H303

H313

H401

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

H401 Toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Toxicity

Log P (octanol/water): 3.83 (pH 6.3, 21°). LD50 in rats (mg/kg): >5000 orally, >4000 dermally; LC50 in carp (mg/l): 2.4 (Hacker)

Synonyms & References

English

Mefenpyr-diethyl [ISO]
1-(2,4-Dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylic diethyl ester
EN300-18709620
DTXCID4017564
AKOS025244076
RHH2Z9715C
AS-17450
CHEMBL1895160
NCGC00163723-01
Diethyl 1-(3,4-Dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylate
Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4H-pyrazole-3,5-dicarboxylate
135590-91-9
Diethyl (RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxilate
C16H18Cl2N2O4
MEFENPYR-DIETHYL [MI]
MFCD09753375
DTXSID6037564
AC-18020
HY-136376
3,5-diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
diethyl 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazole-3,5-dicarboxylate
diethyl (rs)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylate
M2604
(R)-homo-beta-alaninehydrochloride
1H-Pyrazole-3,5-dicarboxylic acid, 1-(2,4-dichlorophenyl)-4,5-dihydro-5-methyl-, diethyl ester
Q1916946
NCGC00356957-01
Diethyl1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
A886990
SCHEMBL23722
CAS-135590-91-9

MDL Number

MFCD09753375

Customs Code

2933199090

FAQ

What is Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate (CAS: 135590-91-9)?

Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate is a complex organic compound used in pharmaceuticals and research due to its specific chemical structure. It has the chemical formula C15H14Cl2N4O4.

What are the main uses of Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate (CAS: 135590-91-9)?

This compound is primarily used in pharmaceutical research for its potential therapeutic effects and in chemical synthesis as a reagent. It may also have applications in developing new drug candidates.

Is Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate (CAS: 135590-91-9) safe?

While the compound is not inherently dangerous, it requires proper handling due to its chemical composition. It is advisable to follow standard safety protocols, including wearing protective gloves and goggles. Storage and use should be in a well-ventilated area to avoid inhalation and direct contact with skin or eyes.

How should Diethyl 1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate (CAS: 135590-91-9) be stored?

Store this compound in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Ensure the storage area is well-ventilated to avoid inhalation risks. Avoid storing it near flammable materials or incompatible substances.