Cas no 40411-77-6 (Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro-)
40411-77-6 structure
Product Name:Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro-
CAS No:40411-77-6
MF:C12H6N6O10
MW:394.210241794586
CID:331750
PubChem ID:3016184
Update Time:2025-04-19
Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro-
- N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline
- NS00030778
- DTXSID20193428
- 40411-77-6
- AKOS016036148
- EINECS 254-909-4
-
- Inchi： 1S/C12H6N6O10/c19-14(20)6-4-9(17(25)26)12(10(5-6)18(27)28)13-11-7(15(21)22)2-1-3-8(11)16(23)24/h1-5,13H
- InChI Key： OZFMAAJZKNAXBR-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: 394.01454
- Monoisotopic Mass: 394.01454
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 614
- 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: 241
- XLogP3: 3.2
Experimental Properties
- Density: 1.836
- Boiling Point: 499.5°Cat760mmHg
- Flash Point: 255.9°C
- Refractive Index: 1.76
Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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2. Agricultural
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
40411-77-6 (Benzenamine,N-(2,6-dinitrophenyl)-2,4,6-trinitro-) Related Products
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