Cas no 230-31-9 (Benzo[h]cinnoline)
![Benzo[h]cinnoline structure](https://ossimg.kuujia.com/scimg/500/230-31-9x500.png)
Benzo[h]cinnoline structure
Product Name:Benzo[h]cinnoline
Benzo[h]cinnoline Chemical and Physical Properties
Names and Identifiers
-
- Benzo[h]cinnoline
- 3,4-Diazaphenanthrene
- 9,10-Phenanthroline
- DTXSID60345121
- SCHEMBL474149
- 230-31-9
-
- Inchi： 1S/C12H8N2/c1-2-4-11-9(3-1)5-6-10-7-8-13-14-12(10)11/h1-8H
- InChI Key： DMMLYDCVMZEUMT-UHFFFAOYSA-N
- SMILES： N1C2C(C=CN=1)=CC=C1C=CC=CC1=2
Computed Properties
- Exact Mass: 180.06884
- Monoisotopic Mass: 180.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 205
- 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
- XLogP3: 2.4
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.25
- Boiling Point: 378.2 °C at 760 mmHg
- Flash Point: 180.379 °C
- PSA: 25.78
Benzo[h]cinnoline Related Literature
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1. Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindolesRong Ye,Jing Sun,Ying Han,Chao-Guo Yan New J. Chem. 2021 45 5075
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J. A. Elix,Meta Sterns,W. S. Wilson,R. N. Warrener J. Chem. Soc. D 1971 426b
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Silvia Dell'Orto,Daniela Masciocchi,Stefania Villa,Fiorella Meneghetti,Giuseppe Celentano,Daniela Barlocco,Diego Colombo,Laura Legnani,Lucio Toma,Yoon Jung Jeon,Byoung-Mog Kwon,Akira Asai,Arianna Gelain Med. Chem. Commun. 2014 5 1651
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4. Photochemistry of tricarbonyl(α-di-imine)iron complexes. New mechanistic aspects for CO photosubstitution in solution and evidence for π,π-co-ordination of 1,4-diaza-1,3-butadiene ligands in matrices at 10 KMaarten W. Kokkes,Derk J. Stufkens,Ad Oskam J. Chem. Soc. Dalton Trans. 1984 1005
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5. Crystal and molecular structure of 1,1′-azo-2-phenylimidazo[1,2-a]-pyridinium dibromide: a new curariform agentD. J. Pointer,J. B. Wilford J. Chem. Soc. Perkin Trans. 2 1972 2259
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