Cas no 71630-67-6 (9(10H)-Anthracenone,4,5-dinitro-)
71630-67-6 structure
Product Name:9(10H)-Anthracenone,4,5-dinitro-
CAS No:71630-67-6
MF:C14H8N2O5
MW:284.22372341156
CID:563288
PubChem ID:3018198
Update Time:2025-04-19
9(10H)-Anthracenone,4,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 9(10H)-Anthracenone,4,5-dinitro-
- 4,5-Dinitroanthracen-9(10H)-one
- 4,5-dinitro-10H-anthracen-9-one
- NS00061877
- EINECS 275-733-4
- 71630-67-6
- DTXSID90992208
-
- Inchi： 1S/C14H8N2O5/c17-14-8-3-1-5-12(15(18)19)10(8)7-11-9(14)4-2-6-13(11)16(20)21/h1-6H,7H2
- InChI Key： SHETWBIODFGNGI-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=C(C=2CC2C(=CC=CC=21)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 284.04334
- Monoisotopic Mass: 284.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 429
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3
- Topological Polar Surface Area: 109?2
Experimental Properties
- Density: 1.525
- Boiling Point: 509°C at 760 mmHg
- Flash Point: 260.6°C
- Refractive Index: 1.695
- PSA: 103.35
9(10H)-Anthracenone,4,5-dinitro- Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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