Cas no 16757-82-7 (Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI))
![Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI) structure](https://ossimg.kuujia.com/scimg/17000/16757-82-7x500.png)
16757-82-7 structure
Product Name:Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI)
Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI)
- 2-methylbenzo[a]pyrene
- 2-Methylbenzo[pqr]tetraphene
- benzo[a]pyrene, 2-methyl-
- BRN 2528162
- S8PD4YG8H9
- 9-Methyl-3,4-benzpyrene
- 2-Methylbenzo(a)pyrene
- BENZO(a)PYRENE, 2-METHYL-
- DTXSID60168312
- 16757-82-7
- CCRIS 2436
- UNII-S8PD4YG8H9
-
- Inchi： 1S/C21H14/c1-13-10-15-6-7-17-12-14-4-2-3-5-18(14)19-9-8-16(11-13)20(15)21(17)19/h2-12H,1H3
- InChI Key： BBVAZDUFJMPLJK-UHFFFAOYSA-N
- SMILES： C12C3C=CC4=CC(C)=CC(=CC=C1C1C=CC=CC=1C=3)C=24
Computed Properties
- Exact Mass: 266.10962
- Monoisotopic Mass: 266.10955
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 399
- 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: 6.3
- Topological Polar Surface Area: 0
Experimental Properties
- Density: 1.1340 (estimate)
- Melting Point: 138.5°C
- Boiling Point: 509.54°C (rough estimate)
- Flash Point: 236.7°C
- Refractive Index: 1.8530 (estimate)
- PSA: 0
Benzo[a]pyrene,2-methyl- (6CI,8CI,9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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