Cas no 17474-05-4 (Benzenamine,2,6-dinitro-N-phenyl-4-(trifluoromethyl)-)
17474-05-4 structure
Product Name:Benzenamine,2,6-dinitro-N-phenyl-4-(trifluoromethyl)-
CAS No:17474-05-4
MF:C13H8F3N3O4
MW:327.215533256531
CID:236180
PubChem ID:339116
Update Time:2025-04-19
Benzenamine,2,6-dinitro-N-phenyl-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2,6-dinitro-N-phenyl-4-(trifluoromethyl)-
- 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline
- (Dinitro-trifluoromethyl-phenyl)-phenyl-amine
- 2.6-Dinitro-4-trifluoromethyldiphenylamine
- AC1L7P9J
- Ambcb5467836
- N-(2,6-dinitro-4-trifluoromethylphenyl)aniline
- N-phenyl-2,6-dinitro-4-(trifluoromethyl)aniline
- NSC364065
- N-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-N-PHENYLAMINE
- 17474-05-4
- DUMAFIRAMXVMFL-UHFFFAOYSA-N
- SCHEMBL2646209
- DTXSID90320769
- NSC-364065
- AKOS037632303
-
- Inchi： 1S/C13H8F3N3O4/c14-13(15,16)8-6-10(18(20)21)12(11(7-8)19(22)23)17-9-4-2-1-3-5-9/h1-7,17H
- InChI Key： DUMAFIRAMXVMFL-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(=C(C=1)[N+](=O)[O-])NC1C=CC=CC=1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 327.04674
- Monoisotopic Mass: 327.04669023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 419
- 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: 4.6
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 98.31
- LogP: 5.38480
Benzenamine,2,6-dinitro-N-phenyl-4-(trifluoromethyl)- Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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