Cas no 4097-42-1 (2,6-dinitro-4-pentan-2-ylphenol)
4097-42-1 structure
Product Name:2,6-dinitro-4-pentan-2-ylphenol
CAS No:4097-42-1
MF:C11H14N2O5
MW:254.239263057709
CID:926422
PubChem ID:228519
Update Time:2025-04-19
2,6-dinitro-4-pentan-2-ylphenol Chemical and Physical Properties
Names and Identifiers
-
- 2,6-dinitro-4-pentan-2-ylphenol
- 2,6-Dinitro-4-(1-methylbutyl)-phenol
- 2,6-dinitro-4-(pentan-2-yl)phenol
- 2-< 4-Hydroxy-3,5-dinitro-phenyl> -pentan
- 4-(1-Methyl-butyl)-2,6-dinitro-phenol
- 4-< 1-Methyl-butyl> -2,6-dinitro-phenol
- AC1L5GAC
- AC1Q5AKD
- AG-J-16263
- AR-1D5061
- CTK4I4088
- NSC21494
- NSC-21494
- 4097-42-1
- DTXSID10281388
-
- Inchi： 1S/C11H14N2O5/c1-3-4-7(2)8-5-9(12(15)16)11(14)10(6-8)13(17)18/h5-7,14H,3-4H2,1-2H3
- InChI Key： FMQYNJAZGOHAHT-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C=C1[N+](=O)[O-])C(C)CCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 254.09032
- Monoisotopic Mass: 254.09027155g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 106.51
- LogP: 4.15860
2,6-dinitro-4-pentan-2-ylphenol Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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5. 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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