Cas no 4099-63-2 (4-ethyl-2,6-dinitrophenol)
4-ethyl-2,6-dinitrophenol structure
Product Name:4-ethyl-2,6-dinitrophenol
4-ethyl-2,6-dinitrophenol Chemical and Physical Properties
Names and Identifiers
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- 4-ethyl-2,6-dinitrophenol
- 2,6-dinitro-4-ethyl-phenol
- 2.6-Dinitro-4-aethylphenol
- 4-Aethyl-2,6-dinitro-phenol
- AC1Q5AKH
- Phenol, 4-ethyl-2,6-dinitro-
- Phenol, 2,6-dinitro-4-ethyl-
- 4-Aethyl-2.6-dinitro-phenol
- NSC78802
- 4-ethyl-2,6-dinitro-phenol
- BRN 2563936
- AI3-19033
- 2,6-Dinitro-4-ethylphenol
- 4099-63-2
- AKOS025122367
- NSC-78802
- 4-06-00-03027 (Beilstein Handbook Reference)
- NSC 78802
- DTXSID40193985
- DS-015003
- Phenol,6-dinitro-4-ethyl-
- NCIOpen2_004293
- WLN: WNR BQ E2 CNW
- QT2XH63VSV
- SCHEMBL5083291
-
- Inchi： 1S/C8H8N2O5/c1-2-5-3-6(9(12)13)8(11)7(4-5)10(14)15/h3-4,11H,2H2,1H3
- InChI Key： CIXQCVNMEAPWFG-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C=C1[N+](=O)[O-])CC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 212.04334
- Monoisotopic Mass: 212.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 235
- 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
- Topological Polar Surface Area: 112A^2
- XLogP3: 2.6
Experimental Properties
- Density: 1.469
- Boiling Point: 298.3°C at 760 mmHg
- Flash Point: 128.6°C
- Refractive Index: 1.62
- PSA: 106.51
- LogP: 2.81740
4-ethyl-2,6-dinitrophenol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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