Cas no 82721-25-3 (Benzo[a]pyrene,6,10-dimethyl- (9CI))
82721-25-3 structure
Product Name:Benzo[a]pyrene,6,10-dimethyl- (9CI)
Benzo[a]pyrene,6,10-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,6,10-dimethyl- (9CI)
- 6,10-dimethylbenzo(a)pyrene
- 6,10-dimethylbenzo[a]pyrene
- 82721-25-3
- DTXSID80231976
- Benzo(a)pyrene, 6,10-dimethyl-
- 6,10-Dimethyl-BP
-
- Inchi: 1S/C22H16/c1-13-5-3-8-17-14(2)18-11-9-15-6-4-7-16-10-12-19(20(13)17)22(18)21(15)16/h3-12H,1-2H3
- InChI Key: UQJYUXXPNGHKLM-UHFFFAOYSA-N
- SMILES: C12C3C4=CC=CC=3C=CC=1C1C(C)=CC=CC=1C(C)=C2C=C4
Computed Properties
- Exact Mass: 280.125
- Monoisotopic Mass: 280.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 426
- 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
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.226
- Boiling Point: 492.6°C at 760 mmHg
- Flash Point: 245.7°C
- Refractive Index: 1.824
Benzo[a]pyrene,6,10-dimethyl- (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
82721-25-3 (Benzo[a]pyrene,6,10-dimethyl- (9CI)) Related Products
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- 28804-88-8(Dimethylnaphthalene, mixture of isomers)
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