Cas no 159092-79-2 (Phenanthrene,1,7,9-trinitro-)
Phenanthrene,1,7,9-trinitro- structure
Product Name:Phenanthrene,1,7,9-trinitro-
CAS No:159092-79-2
MF:C14H7N3O6
MW:313.221883058548
CID:215326
PubChem ID:154732
Update Time:2025-04-19
Phenanthrene,1,7,9-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,1,7,9-trinitro-
- 1,7,9-trinitrophenanthrene
- DTXSID40166578
- CCRIS 7662
- Phenanthrene, 1,7,9-trinitro-
- 159092-79-2
-
- Inchi： 1S/C14H7N3O6/c18-15(19)8-4-5-10-9-2-1-3-13(16(20)21)12(9)7-14(17(22)23)11(10)6-8/h1-7H
- InChI Key： APSCWOVJURKCBJ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C(=CC=CC2=C2C=CC(=CC2=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 313.03351
- Monoisotopic Mass: 313.033
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 138?2
Experimental Properties
- Density: 1.621
- Boiling Point: 565.6°Cat760mmHg
- Flash Point: 291.3°C
- Refractive Index: 1.786
- PSA: 129.42
Phenanthrene,1,7,9-trinitro- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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