Cas no 36911-94-1 (Benz[a]anthracene,6,8-diethyl-)
![Benz[a]anthracene,6,8-diethyl- structure](https://ossimg.kuujia.com/scimg/37000/36911-94-1x500.png)
36911-94-1 structure
Product Name:Benz[a]anthracene,6,8-diethyl-
Benz[a]anthracene,6,8-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,6,8-diethyl-
- 6,8-diethylbenzo[a]anthracene
- BRN 2274988
- 6,8-Diethylbenz(a)anthracene
- 36911-94-1
- DTXSID00190394
- RHTUEBPQRSQIMX-UHFFFAOYSA-N
- Benz(a)anthracene, 6,8-diethyl-
- 6,8-Diethylbenz[a]anthracene
-
- Inchi： 1S/C22H20/c1-3-15-9-7-10-18-13-22-19-11-6-5-8-17(19)12-16(4-2)21(22)14-20(15)18/h5-14H,3-4H2,1-2H3
- InChI Key： RHTUEBPQRSQIMX-UHFFFAOYSA-N
- SMILES： C12C=C3C(=CC=CC3=CC1=C1C=CC=CC1=CC=2CC)CC
Computed Properties
- Exact Mass: 284.1566
- Monoisotopic Mass: 284.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 372
- 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: 7.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0560 (estimate)
- Boiling Point: 493.89°C (rough estimate)
- Refractive Index: 1.6770 (estimate)
- PSA: 0
Benz[a]anthracene,6,8-diethyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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