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

Basic Information

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CAS Number

56426-35-8

Molecular Formula

C11H10N2O2

Molecular Weight

202.21 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

Melting Point

184 ºC (methanol )

Boiling Point

422°C at 760 mmHg

Density

1.1085 g/cm3 (19.1 ºC)

Flash Point

209°C

Refractive Index

1.64774 (19.1 ºC)

SMILES

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COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)

InChIKey

ROXAFVODFXYSFO-UHFFFAOYSA-N

LogP

1.8633

Topological Polar Surface Area

54.98 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

227

Synonyms & References

English

BDBM41868
MLS000076632
EN300-110830
DTXSID50349390
CHEMBL1493025
HMS2346K16
3-phenylpyrazole-5-carboxylic acid methyl ester
2-Phenyl-1H-imidazole-4-carboxylic acid methy l ester
FT-0727004
methyl 3-phenyl-1H-pyrazole-5-carboxylate
PS-3088
SR-01000323024
1H-Pyrazole-3-carboxylicacid, 5-phenyl-, methyl ester
SCHEMBL646099
SY112410
A841375
3-phenyl-1H-pyrazole-5-carboxylic acid methyl ester
SMR000013780
1H-Pyrazole-3-carboxylic acid, 5-phenyl-, methyl ester
HMS1558G17
5-Phenyl-2H-pyrazole-3-carboxylic acid methyl ester
56426-35-8
BCP23028
5-Phenyl-1H-pyrazole-3-carboxylic acid methyl ester
AKOS000112493
BAS 06491662
F2130-0064
Methyl3-phenyl-1H-pyrazole-5-carboxylate
FT-0640386
Z114092434
BB 0219248

MDL Number

MFCD00208415

Customs Code

2933199090

FAQ

What is Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8)?

Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) is an organic compound with a molecular formula of C11H11NO2. It is a white or off-white crystalline powder with a characteristic odor. This compound is commonly used in medicinal chemistry and as a research tool due to its chemical structure and reactivity.

What are the main uses of Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8)?

Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) is primarily used as a medicinal intermediate and for synthesis of various pharmaceuticals. It is also employed in research for its structural properties, acting as a scaffold for drug discovery and development.

Is Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) safe?

Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area, and skin and eye contact should be avoided. Users should wear gloves and safety glasses during handling.

How should Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) be stored?

Methyl 5-phenyl-1H-pyrazole-3-carboxylate (CAS: 56426-35-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. Store at room temperature, ideally between 15-25°C (59-77°F).