Cas no 159092-67-8 (Phenanthrene,1,6-dinitro-)
Phenanthrene,1,6-dinitro- structure
Product Name:Phenanthrene,1,6-dinitro-
CAS No:159092-67-8
MF:C14H8N2O4
MW:268.224323272705
CID:198498
PubChem ID:154720
Update Time:2025-04-19
Phenanthrene,1,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,1,6-dinitro-
- 1,6-Dinitrophenanthrene
- AC1L4CUC
- AG-E-08398
- CCRIS 7649
- CTK4C9946
- LS-102641
- CFC58D5G3H
- Phenanthrene, 1,6-dinitro-
- DTXSID30166567
- 159092-67-8
-
- Inchi： 1S/C14H8N2O4/c17-15(18)10-6-4-9-5-7-12-11(13(9)8-10)2-1-3-14(12)16(19)20/h1-8H
- InChI Key： GSWPGZWSWHARES-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC2C1=CC=C1C=CC(=CC=21)[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: 4.3
- 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,1,6-dinitro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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