Cas no 61735-77-1 (3-fluorobenzo(a,i)pyrene)
3-fluorobenzo(a,i)pyrene structure
Product Name:3-fluorobenzo(a,i)pyrene
3-fluorobenzo(a,i)pyrene Chemical and Physical Properties
Names and Identifiers
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- 3-fluorobenzo(a,i)pyrene
- BENZO(rst)PENTAPHENE, 3-FLUORO-
- 61735-77-1
- TTM8HG3CNF
- 3-Fluorobenzo(rst)pentaphene
- 5-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,8,10,12,14,16,18,20(24),21-dodecaene
- BRN 1995992
- Benzo[rst]pentaphene, 3-fluoro-
- 3-Fluorobenzo[rst]pentaphene
- 3-fluorodibenzo[ a,i]pyrene
- DTXSID70210735
- Fluorodibenzo[a,i]pyrene, 3-
- 3-Fluorodibenzo[a,i]pyrene
-
- Inchi： 1S/C24H13F/c25-18-7-8-20-17(13-18)12-16-6-5-15-11-14-3-1-2-4-19(14)21-9-10-22(20)24(16)23(15)21/h1-13H
- InChI Key： RFZRVBKLYCYBKA-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C=1)C=C1C=CC3=CC4C=CC=CC=4C4=CC=C2C1=C43
Computed Properties
- Exact Mass: 320.10019
- Monoisotopic Mass: 320.100128577g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 514
- 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: 7.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0597 (rough estimate)
- Boiling Point: 295.93°C (rough estimate)
- Refractive Index: 1.7110 (estimate)
- PSA: 0
3-fluorobenzo(a,i)pyrene Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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