Cas no 970-76-3 (Benzenamine,2,4-dinitro-N-(4-nitrophenyl)-)
970-76-3 structure
Product Name:Benzenamine,2,4-dinitro-N-(4-nitrophenyl)-
Benzenamine,2,4-dinitro-N-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2,4-dinitro-N-(4-nitrophenyl)-
- 2,4-dinitro-N-(4-nitrophenyl)aniline
- N1-(4-Nitrophenyl)-2,4-dinitroaniline
- NS00042494
- AKOS000286060
- 970-76-3
- N-(4-Nitrophenyl)-2,4-dinitroaniline
- DTXSID20242662
- AI3-01555
- EINECS 213-536-7
- Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-
- CHEMBL4459184
- 2,4,4'-trinitro diphenylamine
-
- MDL： MFCD00099134
- Inchi： 1S/C12H8N4O6/c17-14(18)9-3-1-8(2-4-9)13-11-6-5-10(15(19)20)7-12(11)16(21)22/h1-7,13H
- InChI Key： MQZAHSOZWFOSGD-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1NC1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 304.044
- Monoisotopic Mass: 304.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 434
- 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: 3.6
- Topological Polar Surface Area: 150A^2
Experimental Properties
- Density: 1.592
- Boiling Point: 491.1°Cat760mmHg
- Flash Point: 250.8°C
- Refractive Index: 1.717
Benzenamine,2,4-dinitro-N-(4-nitrophenyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
970-76-3 (Benzenamine,2,4-dinitro-N-(4-nitrophenyl)-) Related Products
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