Cas no 2437-88-9 (Benzene,1,3,5-triethoxy-)
Benzene,1,3,5-triethoxy- structure
Product Name:Benzene,1,3,5-triethoxy-
Benzene,1,3,5-triethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3,5-triethoxy-
- 1,3,5-triethoxybenzene
- Benzene, 1,3,5-triethoxy-
- phloroglucinol triethyl ether
- DTXSID5062421
- 2437-88-9
- SCHEMBL1683212
- 1, 3, 5-triethoxybenzene
-
- Inchi： 1S/C12H18O3/c1-4-13-10-7-11(14-5-2)9-12(8-10)15-6-3/h7-9H,4-6H2,1-3H3
- InChI Key： CPEDYIVPGWUOGI-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=C(C=1)OCC)OCC
Computed Properties
- Exact Mass: 210.12564
- Monoisotopic Mass: 210.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 120
- 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: 27.7A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.0733 (rough estimate)
- Melting Point: 43.5°C
- Boiling Point: 309.8°C (rough estimate)
- Flash Point: 102.3°C
- Refractive Index: 1.5040 (estimate)
- PSA: 27.69
Benzene,1,3,5-triethoxy- Related Literature
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Thomas E. Storr,Faridah Namata,Michael F. Greaney Chem. Commun. 2014 50 13275
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2. Organic peroxides. Part IV. Alkyl–oxygen heterolysis in organic peroxidesA. G. Davies,R. V. Foster,R. Nery J. Chem. Soc. 1954 2204
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3. Protonation of triaminobenzenes in aqueous solution: reactions involving aromatic compounds, σ-complexes and cyanine ionsWerner Sachs,Wilhelm Knoche,Christian Herrmann J. Chem. Soc. Perkin Trans. 2 1991 701
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Kristina A. Gudun,Samat Tussupbayev,Ainur Slamova,Andrey Y. Khalimon Org. Biomol. Chem. 2022 20 6821
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5. Protonation equilibrium of mesitylene in trifluoromethanesulfonic acidNunziata C. Marziano,Claudio Tortato,Roberta Bertani J. Chem. Soc. Perkin Trans. 2 1992 955
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