Cas no 78432-19-6 (Pyrene, dinitro-)
Pyrene, dinitro- structure
Product Name:Pyrene, dinitro-
CAS No:78432-19-6
MF:C16H8N2O4
MW:292.245723724365
CID:573074
PubChem ID:3033659
Update Time:2025-04-19
Pyrene, dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrene, dinitro-
- 1,2-dinitropyrene
- DINITROPYRENE
- pyrene, 1,2-dinitro-
- 78432-19-6
- SCHEMBL898759
- DTXSID30229080
-
- Inchi： 1S/C16H8N2O4/c19-17(20)13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(21)22/h1-8H
- InChI Key： PEOXEBCFEGFKKE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC2=CC=C3C=CC=C4C=CC=1C2=C43)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 292.048407
- Monoisotopic Mass: 292.048407
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 486
- 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: 91.6
- XLogP3: 4.7
Experimental Properties
- Density: 1.574
- Boiling Point: 537.5°C at 760 mmHg
- Flash Point: 275.7°C
- Refractive Index: 1.887
Pyrene, dinitro- Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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