Cas no 16354-50-0 (Benz[a]anthracene,7-ethyl-12-methyl-)
![Benz[a]anthracene,7-ethyl-12-methyl- structure](https://ossimg.kuujia.com/scimg/16500/16354-50-0x500.png)
16354-50-0 structure
Product Name:Benz[a]anthracene,7-ethyl-12-methyl-
Benz[a]anthracene,7-ethyl-12-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,7-ethyl-12-methyl-
- 7-Ethyl-12-methylbenz(a)anthracene
- 7-ethyl-12-methylbenzo[a]anthracene
- UNII-N4TDL2VZQ4
- CCRIS 1535
- 7-Ethyl-12-methylbenz[a]anthracene
- KGHAOMPXHGIHAL-UHFFFAOYSA-N
- 16354-50-0
- BRN 3301533
- 7-ETHYL-12-METHYLBENZO(A)ANTHRACENE
- DTXSID30167610
- N4TDL2VZQ4
- Benz(a)anthracene, 7-ethyl-12-methyl-
-
- Inchi： 1S/C21H18/c1-3-16-19-11-7-6-9-17(19)14(2)21-18-10-5-4-8-15(18)12-13-20(16)21/h4-13H,3H2,1-2H3
- InChI Key： KGHAOMPXHGIHAL-UHFFFAOYSA-N
- SMILES： C12C3C=CC=CC=3C=CC1=C(CC)C1C=CC=CC=1C=2C
Computed Properties
- Exact Mass: 270.14094
- Monoisotopic Mass: 270.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 359
- 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: 6.2
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Density: 1.0691 (estimate)
- Boiling Point: 232.5°C
- Flash Point: 232.6°C
- Refractive Index: 1.7640 (estimate)
- PSA: 0
Benz[a]anthracene,7-ethyl-12-methyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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