Cas no 24276-91-3 (Benzenamine,2-(4-nitrophenoxy)-5-(trifluoromethyl)-)
24276-91-3 structure
Product Name:Benzenamine,2-(4-nitrophenoxy)-5-(trifluoromethyl)-
CAS No:24276-91-3
MF:C13H9F3N2O3
MW:298.217373609543
CID:283928
PubChem ID:146912
Update Time:2025-04-19
Benzenamine,2-(4-nitrophenoxy)-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2-(4-nitrophenoxy)-5-(trifluoromethyl)-
- 2-(4-nitrophenoxy)-5-(trifluoromethyl)aniline
- 2-(4-Nitrophenoxy)-5-(trifluoromethyl)benzeneamine
- Benzeneamine, 2-(4-nitrophenoxy)-5-(trifluoromethyl)-
- DTXSID70179010
- RAJUPQAENBFSSM-UHFFFAOYSA-N
- 24276-91-3
-
- Inchi： 1S/C13H9F3N2O3/c14-13(15,16)8-1-6-12(11(17)7-8)21-10-4-2-9(3-5-10)18(19)20/h1-7H,17H2
- InChI Key： RAJUPQAENBFSSM-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=C(C=1)N)OC1C=CC(=CC=1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 298.05657
- Monoisotopic Mass: 298.057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 365
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- Density: 1.436
- Boiling Point: 361°C at 760 mmHg
- Flash Point: 172.1°C
- Refractive Index: 1.573
- PSA: 78.39
Benzenamine,2-(4-nitrophenoxy)-5-(trifluoromethyl)- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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3. 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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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