Cas no 6478-31-5 (Ethanol, 2-(2,4,6-trinitrophenoxy)-)
6478-31-5 structure
Product Name:Ethanol, 2-(2,4,6-trinitrophenoxy)-
CAS No:6478-31-5
MF:C8H7N3O8
MW:273.156481981277
CID:417234
PubChem ID:13172810
Update Time:2025-04-19
Ethanol, 2-(2,4,6-trinitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Ethanol, 2-(2,4,6-trinitrophenoxy)-
- 2-(2,4,6-trinitrophenoxy)ethanol
- 2-(2,4,6-Trinitrophenoxy)ethan-1-ol
- DTXSID70524627
- 6478-31-5
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- Inchi： 1S/C8H7N3O8/c12-1-2-19-8-6(10(15)16)3-5(9(13)14)4-7(8)11(17)18/h3-4,12H,1-2H2
- InChI Key： FTBYYWLFCARAJD-UHFFFAOYSA-N
- SMILES： O(CCO)C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 273.02331419g/mol
- Monoisotopic Mass: 273.02331419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 335
- 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: 0.7
- Topological Polar Surface Area: 167?2
Ethanol, 2-(2,4,6-trinitrophenoxy)- Related Literature
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
6478-31-5 (Ethanol, 2-(2,4,6-trinitrophenoxy)-) Related Products
- 2831-60-9(2-(2,4-Dinitrophenoxy)ethanol)
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- 553-79-7(Benzenamine,5-nitro-2-propoxy-)
- 38753-50-3(1-Isopropoxy-2-nitrobenzene)
- 16365-25-6(2-(2-nitrophenoxy)ethan-1-ol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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