Cas no 6952-48-3 (Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]-)
![Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/7000/6952-48-3x500.png)
6952-48-3 structure
Product Name:Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]-
CAS No:6952-48-3
MF:C13H9F3N2O3
MW:298.217373609543
CID:517961
PubChem ID:247885
Update Time:2025-04-19
Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]-
- 3-[2-nitro-4-(trifluoromethyl)phenoxy]aniline
- 3-Amino-2'-nitro-4'-trifluormethyl-diphenylether
- AC1L6L85
- AR-1F0953
- CTK5D0305
- NCIOpen2_002594
- NSC63334
- 6952-48-3
- NSC-63334
- DTXSID20289739
- SCHEMBL11169458
-
- Inchi： 1S/C13H9F3N2O3/c14-13(15,16)8-4-5-12(11(6-8)18(19)20)21-10-3-1-2-9(17)7-10/h1-7H,17H2
- InChI Key： GAZRUDPNQMDFNU-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=C(C=1)[N+](=O)[O-])OC1C=CC=C(C=1)N)(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: 373
- 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: 3.1
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- Density: 1.436
- Boiling Point: 366.1°Cat760mmHg
- Flash Point: 175.2°C
- Refractive Index: 1.573
- PSA: 78.39
- LogP: 5.09250
Benzenamine,3-[2-nitro-4-(trifluoromethyl)phenoxy]- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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