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5718-26-3

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Basic Information
CAS No.: 5718-26-3
Name: methyl 2-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-1,3,3-trimethylindoline-5-carboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 5718-26-3 (methyl 2-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-1,3,3-trimethylindoline-5-carboxylate)
Formula: C25H25N3O3
Molecular Weight: 415.492
Synonyms: 1H-Indole-5-carboxylicacid,2-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-2,3-dihydro-1,3,3-trimethyl-,methyl ester (9CI);5-Indolinecarboxylic acid,1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)ethylidene]-,methyl ester (7CI,8CI);Disperse orange 47;
EINECS: 227-217-5
Density: 1.628 g/cm3
Boiling Point: 511.5 °C at 760 mmHg
Flash Point: 263.1 °C
Solubility: 440μg/L at 20℃
PSA: 62.21000
LogP: 3.99920
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Chemistry


IUPAC Name: Methyl (2E)-1,3,3-trimethyl-2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-6-carboxylate
Molecular Formula: C25H25N3O3
Molecular Weight: 415.4843 g/mol
Canonical SMILES: CN1c2c(ccc(c2)C(=O)OC)C(C)(C)\C1=C/C=C1/C(C)=NN(c2ccccc2)C1=O
InChI: InChI=1/C25H25N3O3/c1-16-19(23(29)28(26-16)18-9-7-6-8-10-18)12-14-22-25(2,3)20-13-11-17(24(30)31-5)15-21(20)27(22)4/h6-15H,1-5H3/b19-12-,22-14+
EINECS: 227-217-5
XLogP3-AA: 4.6
H-Bond Donor: 0
H-Bond Acceptor: 5
Index of Refraction: 1.611
Molar Refractivity: 121.23 cm3
Molar Volume: 349 cm3
Polarizability: 48.06×10-24 cm3
Surface Tension: 43.4 dyne/cm
Density: 1.19 g/cm3
Flash Point: 277 °C
Enthalpy of Vaporization: 81.05 kJ/mol
Boiling Point: 534.3 °C at 760 mmHg
Vapour Pressure of 1H-Indole-5-carboxylic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene)-2,3-dihydro-1,3,3-trimethyl-, methyl ester (CAS NO.5718-26-3): 1.71E-11 mmHg at 25 °C

Specification

 1H-Indole-5-carboxylic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene)-2,3-dihydro-1,3,3-trimethyl-, methyl ester (CAS NO.5718-26-3), its Synonyms are 1H-Indole-5-carboxylic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene)-2,3-dihydro-1,3,3-trimethyl-, methyl ester ; Methyl 2-((1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene)-1,3,3-trimethylindoline-5-carboxylate .