Cas no 1596-52-7 (Quinoline,4,6-dinitro-, 1-oxide)
1596-52-7 structure
Product Name:Quinoline,4,6-dinitro-, 1-oxide
CAS No:1596-52-7
MF:C9H5N3O5
MW:235.153101682663
CID:149716
PubChem ID:3034120
Update Time:2025-04-19
Quinoline,4,6-dinitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,4,6-dinitro-, 1-oxide
- 4,6-DINITROQUINOLINE-1-OXIDE
- 4,6-dinitro-1-oxidoquinolin-1-ium
- 4,6-Dinitroquinoline 1-oxide
- 1596-52-7
- CHEMBL3244950
- DTXSID00166695
- BRN 0255457
- Quinoline, 4,6-dinitro-, 1-oxide
-
- Inchi： 1S/C9H5N3O5/c13-10-4-3-9(12(16)17)7-5-6(11(14)15)1-2-8(7)10/h1-5H
- InChI Key： QERNYYPEFOVKMT-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=C2C=C(C=CC=12)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 235.02295
- Monoisotopic Mass: 235.02292027g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 326
- 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: 0.9
- Topological Polar Surface Area: 117?2
Experimental Properties
- Density: 1.5624 (rough estimate)
- Boiling Point: 377.54°C (rough estimate)
- Refractive Index: 1.6500 (estimate)
- PSA: 113.22
Quinoline,4,6-dinitro-, 1-oxide Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
1596-52-7 (Quinoline,4,6-dinitro-, 1-oxide) Related Products
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