Cas no 31568-87-3 (8-Quinolinol,2-chloro-5,7-dinitro-, ammonium salt (1:1))
31568-87-3 structure
Product Name:8-Quinolinol,2-chloro-5,7-dinitro-, ammonium salt (1:1)
CAS No:31568-87-3
MF:C9H7ClN4O5
MW:286.628680467606
CID:309788
PubChem ID:24190789
Update Time:2025-04-19
8-Quinolinol,2-chloro-5,7-dinitro-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 8-Quinolinol,2-chloro-5,7-dinitro-, ammonium salt (1:1)
- azane,2-chloro-5,7-dinitroquinolin-8-ol
- NSC114833
- NSC-114833
- 2-Chloro-5,7-dinitroquinolin-8-ol--ammonia (1/1)
- DTXSID90637925
- 31568-87-3
-
- Inchi： 1S/C9H4ClN3O5.H3N/c10-7-2-1-4-5(12(15)16)3-6(13(17)18)9(14)8(4)11-7;/h1-3,14H;1H3
- InChI Key： MLKJDEFLOWFDDE-UHFFFAOYSA-N
- SMILES： ClC1=CC=C2C(=CC(=C(C2=N1)O)[N+](=O)[O-])[N+](=O)[O-].N
Computed Properties
- Exact Mass: 268.98402
- Monoisotopic Mass: 286.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 357
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 126A^2
Experimental Properties
- Density: 1.787
- Boiling Point: 448.7°Cat760mmHg
- Flash Point: 225.2°C
- Refractive Index: 1.759
- PSA: 119.4
- LogP: 3.78050
8-Quinolinol,2-chloro-5,7-dinitro-, ammonium salt (1:1) Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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