Cas no 21565-22-0 (Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro-)
21565-22-0 structure
Product Name:Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro-
CAS No:21565-22-0
MF:C12H6N6O10
MW:394.210241794586
CID:274827
PubChem ID:88946
Update Time:2025-04-19
Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro-
- N-(2,4-Dinitrophenyl)-2,4,6-trinitroaniline
- EINECS 244-447-1
- NS00026902
- 21565-22-0
- DTXSID00175909
-
- Inchi： 1S/C12H6N6O10/c19-14(20)6-1-2-8(9(3-6)16(23)24)13-12-10(17(25)26)4-7(15(21)22)5-11(12)18(27)28/h1-5,13H
- InChI Key： VSGCEWSTFLCCNI-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1NC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 394.01458
- Monoisotopic Mass: 394.01454041g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 636
- 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: 3.3
- Topological Polar Surface Area: 241?2
Experimental Properties
- PSA: 227.73
Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
21565-22-0 (Benzenamine,N-(2,4-dinitrophenyl)-2,4,6-trinitro-) Related Products
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