Cas no 1528-52-5 (1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester)
1528-52-5 structure
Product Name:1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester
1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester
- triisobutyl benzene-1,2,4-tricarboxylate
- tris(2-methylpropyl) benzene-1,2,4-tricarboxylate
- 1,2,4-Benzenetricarboxylic acid tris(2-methylpropyl) ester
- EINECS 216-209-7
- J2NK94PC39
- 1528-52-5
- SCHEMBL828419
- NS00024977
- DTXSID20165125
- 1,2,4-BENZENETRICARBOXYLIC ACID, TRIISOBUTYL ESTER
- UNII-J2NK94PC39
-
- Inchi： 1S/C21H30O6/c1-13(2)10-25-19(22)16-7-8-17(20(23)26-11-14(3)4)18(9-16)21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3
- InChI Key： GQBWSGXZXIZPAF-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C(=O)OCC(C)C)C=CC=1C(=O)OCC(C)C)=O)CC(C)C
Computed Properties
- Exact Mass: 378.2043
- Monoisotopic Mass: 378.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 12
- Complexity: 497
- 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: 5.3
- Topological Polar Surface Area: 78.9A^2
Experimental Properties
- Density: 1.072
- Boiling Point: 439°Cat760mmHg
- Flash Point: 186.7°C
- Refractive Index: 1.496
- PSA: 78.9
1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
1528-52-5 (1,2,4-Benzenetricarboxylicacid, 1,2,4-tris(2-methylpropyl) ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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