Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

89-33-8

Molecular Formula

C12H12N2O3

Molecular Weight

232.24 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

Basic Physical Properties

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

335.3°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

156.6±23.2 °C

Refractive Index

1.594

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

WBFXQKNQVZMOSQ-UHFFFAOYSA-N

LogP

1.3424

Topological Polar Surface Area

58.97 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

346

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

1-Phenyl-5-oxo-2-pyrazoline-3-carboxylic acid ethyl ester
NSC 49150
FT-0623458
ethyl-5-oxo-1-phenyl-2-pyrazolin-3-carboxylat
Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate #
1-Phenyl-3-ethoxycarbonyl-5-pyrazalone
Ethyl 1-phenyl-5-pyrazolinone-3-carboxylate
AKOS000119711
89-33-8
A843133
EC 201-899-4
Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate
1-Phenyl-5-oxo-2-pyrazoline-3-carboxylic acid, ethyl ester
Z104495780
2-Pyrazoline-3-carboxylic acid, ethyl ester
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
MFCD00020764
SMR000281479
EN300-21390
EINECS 201-899-4
NCGC00256175-01
HMS2764N09
NSC49150
UNII-87C344GV0D
DS-13222
MLS000711712
W-109327
Oprea1_648371
2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
SR-01000432885-1
Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

MDL Number

MFCD00020764

Customs Code

2933199090

FAQ

What regulatory guidelines apply to Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8)?

Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) is subject to various regulatory guidelines, including GHS classification for hazardous substances, REACH regulations for European manufacturers and importers, and FDA/EPA requirements for safety and environmental considerations. These guidelines ensure the safe handling, storage, and disposal of the compound.

Are there alternatives to Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) in synthesis?

In synthesis, Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) can be replaced by similar compounds such as methyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate or other 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole derivatives. These alternatives offer similar functional groups and can be used in analogous reactions.

What is the market or research trend for Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8)?

The market and research trend for Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) is focused on its applications in pharmaceuticals and agrochemicals. Recent studies are exploring its potential as an intermediate in drug discovery and as a herbicide. Market trends suggest increasing demand due to its unique chemical properties and growing interest in personalized medicine.

How should waste containing Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) be handled?

Waste containing Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CAS: 89-33-8) should be collected in designated containers and stored in a secure, well-ventilated area. For disposal, it is advisable to consult with a professional waste management service to ensure compliance with local regulations. Incineration or neutralization followed by landfilling are common disposal methods, but always check with environmental authorities for specific guidelines.