Ethyl 5-phenyl-1H-pyrazole-3-carboxylate

Basic Information

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CAS Number

13599-12-7

Molecular Formula

C12H12N2O2

Molecular Weight

216.24 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

SMILES

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CCOC(=O)c1[nH]nc(c1)c1ccccc1

InChI

InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)

InChIKey

AZZHJDRWBMQEKD-UHFFFAOYSA-N

LogP

2.2534

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

239

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 3-phenyl-1H-pyrazole-5-carboxylate
Ethyl 5-phenyl-1H-pyrazole-3-carboxylate
ethyl 5-phenyl-2H-pyrazole-3-carboxylate
<3-Phenyl-pyrazol-5-yl>-saeure-aethylester
3-(5)-methylpyrazole
3(5)-phenyl-5(3)-ethoxycarbonylpyrazole
3-methyl-1H-pyrazole
3-methyl-pyrazol
3-methyl-pyrazole
3-Phenyl-pyrazol-carbonsaeure-(5)-ethylester
5-ethoxycarbonyl-3-phenylpyrazole
5-methyl-pyrazol
5-Methylpyrazole
5-phenyl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
5-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester
Ethyl 3-phenylpyrazole-5-carboxylate
Pyrazole,3-methyl
Pyrazole,5-methyl
SALOR-INT L250031-1EA
1H-pyrazole-5-carboxylic acid, 3-phenyl-, ethyl ester
5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
AZZHJDRWBMQEKD-UHFFFAOYSA-N
5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
ML

MDL Number

MFCD03130041

Customs Code

2933199090

FAQ

What is Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7)?

Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) is an organic compound with the molecular formula C9H10N2O2. It is a colorless to yellowish liquid with a molecular weight of approximately 182.21 g/mol. This compound is characterized by its aromatic and carbonyl functionalities, making it valuable in pharmaceutical and chemical synthesis applications.

What are the main uses of Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7)?

Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) is primarily used in the synthesis of various pharmaceuticals and agrochemicals. It serves as a precursor in the production of antiviral, antifungal, and anti-inflammatory drugs. Additionally, it is utilized in research and development for its potential biological activities.

Is Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) safe?

Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) is considered generally safe when handled properly. However, it is important to follow all safety guidelines, such as wearing appropriate personal protective equipment, and ensuring good ventilation. Exposure to high temperatures or contact with skin and eyes should be avoided. Immediate medical attention is recommended if accidental ingestion occurs.

How should Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) be stored?

Ethyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 13599-12-7) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. The storage temperature should be below 30°C (86°F) to maintain its stability. Avoid contact with moisture and incompatible materials to prevent degradation or hazardous reactions.