Cas no 80251-98-5 (Benzo[e]pyrene,1-methyl-)
![Benzo[e]pyrene,1-methyl- structure](https://ossimg.kuujia.com/scimg/80500/80251-98-5x500.png)
Benzo[e]pyrene,1-methyl- structure
Product Name:Benzo[e]pyrene,1-methyl-
Benzo[e]pyrene,1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[e]pyrene,1-methyl-
- 1-methylbenzo(e)pyrene
- Benzopyrene, methyl-
- Methylbenzpyren
- Benzo(e)pyrene, 1-methyl-
- 80251-98-5
- DTXSID60230184
- 1-Mbep
- 65357-69-9
- Methylbenzopyrene
-
- Inchi： 1S/C21H14/c1-13-9-10-15-12-11-14-5-4-8-18-16-6-2-3-7-17(16)19(13)21(15)20(14)18/h2-12H,1H3
- InChI Key： XDJHCQPWMRCILL-UHFFFAOYSA-N
- SMILES： C12C3C=CC(C)=C1C1C=CC=CC=1C1=CC=CC(=CC=3)C=21
Computed Properties
- Exact Mass: 266.11
- Monoisotopic Mass: 266.11
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 6.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Color/Form: White crystals or crystalline powder
- Density: 1.254
- Boiling Point: 479.4°C at 760 mmHg
- Flash Point: 236.7°C
- Refractive Index: 1.853
Benzo[e]pyrene,1-methyl- Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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