Cas no 58956-76-6 (2,3,4,5,6-pentakis(trifluoromethyl)aniline)
58956-76-6 structure
Product Name:2,3,4,5,6-pentakis(trifluoromethyl)aniline
CAS No:58956-76-6
MF:C11H2F15N
MW:433.116335391998
CID:1611583
PubChem ID:45075698
Update Time:2025-04-21
2,3,4,5,6-pentakis(trifluoromethyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4,5,6-pentakis(trifluoromethyl)aniline
- AKOS005259284
- CTK7D5466
- pentakis(trifluoromethyl)aniline
- AG-A-24498
- PC5959
- Penta-(trifluormethyl)-anilin
- AKOS005259284; CTK7D5466; pentakis(trifluoromethyl)aniline; AG-A-24498; PC5959; Penta-(trifluormethyl)-anilin;
- SCHEMBL25012674
- DTXSID20663095
- 58956-76-6
- CMRZEKXRBBEZIP-UHFFFAOYSA-N
-
- Inchi： 1S/C11H2F15N/c12-7(13,14)1-2(8(15,16)17)4(10(21,22)23)6(27)5(11(24,25)26)3(1)9(18,19)20/h27H2
- InChI Key： CMRZEKXRBBEZIP-UHFFFAOYSA-N
- SMILES： FC(C1C(C(F)(F)F)=C(C(F)(F)F)C(=C(C(F)(F)F)C=1C(F)(F)F)N)(F)F
Computed Properties
- Exact Mass: 432.9947715g/mol
- Monoisotopic Mass: 432.9947715g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 480
- 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: 5.7
- Topological Polar Surface Area: 26?2
2,3,4,5,6-pentakis(trifluoromethyl)aniline Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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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
-
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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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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