Cas no 5131-59-9 (2,4,8-trichlorophenanthridin-6(5H)-one)
5131-59-9 structure
Product Name:2,4,8-trichlorophenanthridin-6(5H)-one
CAS No:5131-59-9
MF:C14H10N4O6
MW:330.25240278244
CID:935166
Update Time:2024-06-13
2,4,8-trichlorophenanthridin-6(5H)-one Chemical and Physical Properties
Names and Identifiers
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- 2,4,8-trichlorophenanthridin-6(5H)-one
- N,N'-Bis-(p-methoxyphenyl)terephthalamide; N,N'-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide; N,N'-Bis-(4-methoxyphenyl)-terephthalsaeure-amid; Oxalsaeure-bis-(4-nitro-anilid); NSC73490; Oprea1_082153; Terephthalsaeure-bis-(p-anisidid); 4.4'-Dinitro-oxanilid; terephthalic acid di-p-anisidide; N.N'-Bis-(4-methoxy-phenyl)-terepthalsaeurediamid; N,N'-Bis(p-methoxyphenyl)-terephthalamid; AC1L3DXB; N.N'-Bis-(4-nitro-phenyl)-oxamid; 4,4-Dini
- Ethanediamide, N1,N2-bis(4-nitrophenyl)-
-
- Inchi： 1S/C14H10N4O6/c19-13(15-9-1-5-11(6-2-9)17(21)22)14(20)16-10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20)
- InChI Key： IBRPVMOCJJBNND-UHFFFAOYSA-N
- SMILES： C(NC1=CC=C([N+]([O-])=O)C=C1)(=O)C(NC1=CC=C([N+]([O-])=O)C=C1)=O
Computed Properties
- Exact Mass: 296.95168
- Monoisotopic Mass: 330.060034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 452
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 150
Experimental Properties
- Density: 1.535
- Melting Point: 359 °C
- Boiling Point: 368.7°C at 760 mmHg
- Flash Point: 176.8°C
- Refractive Index: 1.662
- PSA: 29.1
- pka: 9.58±0.70(Predicted)
2,4,8-trichlorophenanthridin-6(5H)-one Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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