Cas no 128714-75-0 (Benzo[a]pyrene,1,6-dinitro-)
![Benzo[a]pyrene,1,6-dinitro- structure](https://ossimg.kuujia.com/scimg/129000/128714-75-0x500.png)
Benzo[a]pyrene,1,6-dinitro- structure
Product Name:Benzo[a]pyrene,1,6-dinitro-
CAS No:128714-75-0
MF:C20H10N2O4
MW:342.304404735565
CID:146245
PubChem ID:86386
Update Time:2025-04-19
Benzo[a]pyrene,1,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,1,6-dinitro-
- 1,6-DINITROBENZO(A)PYRENE
- 1,6-dinitrobenzo[a]pyrene
- 1,6-dinitrobenzo< a> pyrene
- AC1L3BFN
- ACMC-1BZSG
- Benzo(a)pyrene, 1,6-dinitro-
- BRN 4330649
- CCRIS 4101
- CTK4B6038
- UNII-A82AB37QSX
- Q27273751
- 1,6-DNBP
- A82AB37QSX
- DTXSID50155973
- 128714-75-0
- 1,6-DINITROBENZO(PQR)TETRAPHENE
- J352.851K
-
- Inchi： 1S/C20H10N2O4/c23-21(24)17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22(25)26/h1-10H
- InChI Key： ZBUIFCQCAOFRJN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C2C=CC=CC=2C2=CC=C3C(=CC=C4C=CC=1C2=C34)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 342.0641
- Monoisotopic Mass: 342.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 0
- Complexity: 600
- 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: 6.1
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 1.557
- Boiling Point: 587.6°C at 760 mmHg
- Flash Point: 292.2°C
- Refractive Index: 1.914
- PSA: 86.28
Benzo[a]pyrene,1,6-dinitro- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
128714-75-0 (Benzo[a]pyrene,1,6-dinitro-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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