Cas no 1459-11-6 (Benzene,1,2,4-tris(1,1-dimethylethyl)-)
1459-11-6 structure
Product Name:Benzene,1,2,4-tris(1,1-dimethylethyl)-
Benzene,1,2,4-tris(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,4-tris(1,1-dimethylethyl)-
- 1,2,4-Tris(1,1-dimethylethyl)benzene
- 1,2,4-tritert-butylbenzene
- 1,2,4-Tris-(1,1-dimethylethyl)benzene
- 1,2,4-Tri-tert-butylbenzene
- 1,2,4-Tri(tert-butyl)benzene
- 1,2,4-Tri-t-butylbenzene
- 1459-11-6
- DTXSID90163173
- 1,2,4-tritert-butyl-benzene
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- Inchi： 1S/C18H30/c1-16(2,3)13-10-11-14(17(4,5)6)15(12-13)18(7,8)9/h10-12H,1-9H3
- InChI Key： IHZGECPPAQDWKL-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=C(C=CC=1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 246.2349
- Monoisotopic Mass: 246.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 266
- 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: 0A^2
- XLogP3: 6.9
Experimental Properties
- Density: 0.8496 (estimate)
- Melting Point: 48°C
- Boiling Point: 324.44°C (estimate)
- Flash Point: 119.7°C
- Refractive Index: 1.4914 (estimate)
- PSA: 0
Benzene,1,2,4-tris(1,1-dimethylethyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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