Cas no 63500-30-1 (1H-Pyrazole, 1-methyl-5-(4-nitrophenyl)-3-phenyl-)
63500-30-1 structure
Product Name:1H-Pyrazole, 1-methyl-5-(4-nitrophenyl)-3-phenyl-
CAS No:63500-30-1
MF:C16H13N3O2
MW:279.293323278427
CID:1652509
Update Time:2024-09-12
1H-Pyrazole, 1-methyl-5-(4-nitrophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 1-methyl-5-(4-nitrophenyl)-3-phenyl-
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- Inchi： 1S/C16H13N3O2/c1-18-16(13-7-9-14(10-8-13)19(20)21)11-15(17-18)12-5-3-2-4-6-12/h2-11H,1H3
- InChI Key： QDBCFAHHZIBPDF-UHFFFAOYSA-N
- SMILES： N1(C)C(C2=CC=C([N+]([O-])=O)C=C2)=CC(C2=CC=CC=C2)=N1
Computed Properties
- Exact Mass: 279.10089
Experimental Properties
- Density: 1.24±0.1 g/cm3(Predicted)
- Melting Point: 129-130 °C(Solv: cyclohexane (110-82-7))
- Boiling Point: 456.3±30.0 °C(Predicted)
- PSA: 60.96
- pka: 0.61±0.10(Predicted)
1H-Pyrazole, 1-methyl-5-(4-nitrophenyl)-3-phenyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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