Cas no 616-73-9 (Phenol,5-methyl-2,4-dinitro-)
Phenol,5-methyl-2,4-dinitro- structure
Product Name:Phenol,5-methyl-2,4-dinitro-
Phenol,5-methyl-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,5-methyl-2,4-dinitro-
- 3-METHYL-4,6-DINITROPHENOL
- 5-Methyl-2,4-dinitrophenol
- 2,4-dinitro-5-methylphenol
- 4,6-dinitro-3-hydroxytoluene
- 4,6-Dinitro-m-cresol
- 4.6-dinitro-3-hydroxy-toluene
- 4.6-Dinitro-3-hydroxy-toluol
- 4.6-Dinitro-m-kresol
- AC1L1YOU
- BRN 2121129
- CTK5B3547
- m-Cresol, 4,6-dinitro-
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- Inchi： 1S/C7H6N2O5/c1-4-2-7(10)6(9(13)14)3-5(4)8(11)12/h2-3,10H,1H3
- InChI Key： ZIFGQZOJBWXBNW-UHFFFAOYSA-N
- SMILES： OC1=CC(C)=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 198.02768
- Monoisotopic Mass: 198.02767130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 245
- 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: 2.1
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.5928 (rough estimate)
- Boiling Point: 335.43°C (rough estimate)
- Refractive Index: 1.5460 (estimate)
- PSA: 106.51
Phenol,5-methyl-2,4-dinitro- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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3. 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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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