Cas no 6574-17-0 (Benzenamine, N-methyl-2,6-dinitro-4-(trifluoromethyl)-)
6574-17-0 structure
Product Name:Benzenamine, N-methyl-2,6-dinitro-4-(trifluoromethyl)-
CAS No:6574-17-0
MF:C8H6F3N3O4
MW:265.146152019501
CID:397345
PubChem ID:5072295
Update Time:2025-04-19
Benzenamine, N-methyl-2,6-dinitro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-methyl-2,6-dinitro-4-(trifluoromethyl)-
- N-methyl-2,6-dinitro-4-(trifluoromethyl)aniline
- Z55322828
- 6574-17-0
- T6253269
- SCHEMBL9952302
- AKOS008023427
- (2,6-dinitro-4-trifluoromethyl-phenyl)-methyl-amine
- DTXSID70408034
-
- Inchi： 1S/C8H6F3N3O4/c1-12-7-5(13(15)16)2-4(8(9,10)11)3-6(7)14(17)18/h2-3,12H,1H3
- InChI Key： VGCRRKJNGVBLOY-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NC)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 265.03108
- Monoisotopic Mass: 265.03104017g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 314
- 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: 2.4
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 98.31
Benzenamine, N-methyl-2,6-dinitro-4-(trifluoromethyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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