Cas no 159092-72-5 (Phenanthrene,3,5-dinitro-)
Phenanthrene,3,5-dinitro- structure
Product Name:Phenanthrene,3,5-dinitro-
CAS No:159092-72-5
MF:C14H8N2O4
MW:268.224323272705
CID:200099
PubChem ID:154725
Update Time:2025-04-19
Phenanthrene,3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,3,5-dinitro-
- 3,5-Dinitrophenanthrene
- AC1L4CUR
- AG-E-08401
- CCRIS 7654
- CTK4C9949
- LS-102645
- 37DAG9J95J
- UNII-37DAG9J95J
- 159092-72-5
- DTXSID80166572
- Phenanthrene, 3,5-dinitro-
-
- Inchi： 1S/C14H8N2O4/c17-15(18)11-7-6-9-4-5-10-2-1-3-13(16(19)20)14(10)12(9)8-11/h1-8H
- InChI Key： ACKYQATWPXBWLE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=C2C=CC3C=CC(=CC=3C2=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 268.04844
- Monoisotopic Mass: 268.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 403
- 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: 4.1
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 1.3140 (rough estimate)
- Boiling Point: 411.39°C (rough estimate)
- Refractive Index: 1.5910 (estimate)
- PSA: 86.28
Phenanthrene,3,5-dinitro- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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