Cas no 159092-80-5 (Phenanthrene,2,5,10-trinitro-)
Phenanthrene,2,5,10-trinitro- structure
Product Name:Phenanthrene,2,5,10-trinitro-
CAS No:159092-80-5
MF:C14H7N3O6
MW:313.221883058548
CID:208606
PubChem ID:154733
Update Time:2025-04-19
Phenanthrene,2,5,10-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,2,5,10-trinitro-
- 2,5,10-trinitrophenanthrene
- DTXSID90936046
- Phenanthrene, 2,5,10-trinitro-
- 159092-80-5
- UNII-8MYR2ER7MJ
- 8MYR2ER7MJ
- CCRIS 7663
-
- Inchi： 1S/C14H7N3O6/c18-15(19)9-4-5-10-11(7-9)13(17(22)23)6-8-2-1-3-12(14(8)10)16(20)21/h1-7H
- InChI Key： CZXWGQHRIOYVGI-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C=CC=C(C2=C2C=CC(=CC2=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 313.03351
- Monoisotopic Mass: 313.033485
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 510
- 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
- Topological Polar Surface Area: 138
- XLogP3: 3.9
Experimental Properties
- Density: 1.621
- Boiling Point: 565.6°Cat760mmHg
- Flash Point: 291.3°C
- Refractive Index: 1.786
- PSA: 129.42
Phenanthrene,2,5,10-trinitro- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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