Cas no 97931-40-3 (6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol)
![6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol structure](https://ossimg.kuujia.com/scimg/98000/97931-40-3x500.png)
97931-40-3 structure
Product Name:6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol
CAS No:97931-40-3
MF:C20H15NO3
MW:317.338005304337
CID:1992352
PubChem ID:152161
Update Time:2025-04-21
6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol Chemical and Physical Properties
Names and Identifiers
-
- 6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol
- benzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-6-nitro-
- 7WZS08R2WR
- 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
- CCRIS 5868
- CHEMBL352826
- 97931-40-3
- BENZO(A)PYREN-7-OL, 7,8,9,10-TETRAHYDRO-6-NITRO-
- UNII-7WZS08R2WR
- DTXSID90913539
- Q27268959
- 6-NITRO-7-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
-
- Inchi： 1S/C20H15NO3/c22-16-6-2-5-13-14-9-7-11-3-1-4-12-8-10-15(18(14)17(11)12)20(19(13)16)21(23)24/h1,3-4,7-10,16,22H,2,5-6H2
- InChI Key： FBNQVDBEPCPMLA-UHFFFAOYSA-N
- SMILES： OC1CCCC2C3C=CC4C=CC=C5C=CC(=C(C=21)[N+](=O)[O-])C=3C=45
Computed Properties
- Exact Mass: 317.105193
- Monoisotopic Mass: 317.105193
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 518
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66
- XLogP3: 4.8
Experimental Properties
- Density: 1.458
- Boiling Point: 544.9°C at 760 mmHg
- Flash Point: 224.2°C
- Refractive Index: 1.851
6-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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