Cas no 27018-50-4 (Benz[a]anthracene,7-(iodomethyl)-12-methyl-)
![Benz[a]anthracene,7-(iodomethyl)-12-methyl- structure](https://ossimg.kuujia.com/scimg/27500/27018-50-4x500.png)
27018-50-4 structure
Product Name:Benz[a]anthracene,7-(iodomethyl)-12-methyl-
Benz[a]anthracene,7-(iodomethyl)-12-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,7-(iodomethyl)-12-methyl-
- 7-(iodomethyl)-12-methylbenzo[a]anthracene
- DTXSID00181505
- BRN 3343061
- 27018-50-4
- 7-Iodomethyl-12-methylbenz(a)anthracene
- Benz(a)anthracene, 7-(iodomethyl)-12-methyl-
-
- Inchi： 1S/C20H15I/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3
- InChI Key： YCEFXAWNLQFCMH-UHFFFAOYSA-N
- SMILES： ICC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1
Computed Properties
- Exact Mass: 382.02145
- Monoisotopic Mass: 382.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 365
- 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: 6.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.4815 (rough estimate)
- Boiling Point: 317.36°C (rough estimate)
- Flash Point: 279.7°C
- Refractive Index: 1.7600 (estimate)
- PSA: 0
Benz[a]anthracene,7-(iodomethyl)-12-methyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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