Cas no 73513-39-0 (Benzene, tris(1,1-dimethylethyl)-)
73513-39-0 structure
Product Name:Benzene, tris(1,1-dimethylethyl)-
CAS No:73513-39-0
MF:C18H30
MW:246.430805683136
CID:542354
PubChem ID:18400378
Update Time:2025-04-19
Benzene, tris(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, tris(1,1-dimethylethyl)-
- 1,2,3-tritert-butylbenzene
- tri-t-butylbenzene
- DTXSID90593395
- 73513-39-0
- tri-tert-butylbenzene
- 1,2,3-tri-tert-butylbenzene
-
- Inchi： 1S/C18H30/c1-16(2,3)13-11-10-12-14(17(4,5)6)15(13)18(7,8)9/h10-12H,1-9H3
- InChI Key： MJTFENDZXOFBLA-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C(=CC=CC=1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 246.234750957g/mol
- Monoisotopic Mass: 246.234750957g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 244
- 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: 6.9
- Topological Polar Surface Area: 0?2
Benzene, tris(1,1-dimethylethyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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
73513-39-0 (Benzene, tris(1,1-dimethylethyl)-) Related Products
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