3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-

Basic Information

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CAS Number

4702-90-3

Molecular Formula

C21H18N4O2

Molecular Weight

358.4 g/mol

EINECS

225-184-1

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

180 °C

Boiling Point

556.2±60.0 °C(Predicted)

Density

1.27±0.1 g/cm3(Predicted)

Water Solubility

4.7μg/L at 23℃

Flash Point

290.2 ºC

Refractive Index

1.668

SMILES

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CC1=NN(C(=O)C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3

InChIKey

QPAPQRFSPBUJAU-UHFFFAOYSA-N

LogP

3.3744000000000023

pKa

1.73±0.70(Predicted)

Topological Polar Surface Area

65.34 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

712

Synonyms & References

English

4-((1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
Macrolex Yellow 3G
3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-
C.I. Solvent Yellow 93
AKOS004905471
SCHEMBL247053
HY-D0376
CS-0010379
Thermoplast Yellow 104
Oplas Yellow 140
190086-12-5
4-[(1,5-2H-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-2H-5-methyl-2-phenyl-3H-pyrazol-3-one
4702-90-3
AKOS040744114
Kayaset Yellow GN
Sandoplast Yellow 3G
Solvent Yellow 93
EINECS 225-184-1
Solvaperm Yellow 3G
(4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
C.I. 48160
W-109990
Diaresin Yellow L 3G
3H-Pyrazol-3-one, 4-((1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydr o-5-methyl-2-phenyl-
3H-Pyrazol-3-one, 4-((1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydro-5-methyl-2-phenyl-
S.Y93
(61969-52-6) solvent yellow 93
transparent yellow 3g
3H-Pyrazol-3-one, 4-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl-2,4-dihydro-5-methyl-2-phenyl-
Solvent yellow 93 (C.I. 48160)
4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one

EC Number

225-184-1

Customs Code

3204120000

FAQ

What is 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl (CAS: 4702-90-3)?

This compound is a specific chemical structure with the CAS number 4702-90-3. It is a complex heterocyclic compound with a molecular structure that includes a pyrazole ring and a phenyl group. This compound is primarily used in the synthesis of other pharmaceuticals and as a reagent in chemical reactions.

What are the main uses of 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl (CAS: 4702-90-3)?

This compound is mainly used in the pharmaceutical industry for the synthesis of bioactive molecules and as a reagent in organic synthesis. It plays a role in the development of new drugs and as an intermediate in the production of other chemical compounds.

Is 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl (CAS: 4702-90-3) safe?

This compound is generally safe when handled with appropriate precautions. It should be stored in a cool, dry place away from direct sunlight and kept in a tightly sealed container. Protective equipment such as gloves and goggles should be worn when handling the compound to avoid skin contact and eye irritation.

How should 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl (CAS: 4702-90-3) be stored?

This compound should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly sealed container made of appropriate material to prevent degradation. The storage temperature should be maintained below 30°C (86°F) to ensure stability and safety.