Cas no 42978-42-7 (6-Benzoyloxymethylbenzo(a)pyrene)
42978-42-7 structure
Product Name:6-Benzoyloxymethylbenzo(a)pyrene
CAS No:42978-42-7
MF:C28H18O2
MW:386.441327571869
CID:928611
PubChem ID:39362
Update Time:2025-04-19
6-Benzoyloxymethylbenzo(a)pyrene Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzoyloxymethylbenzo(a)pyrene
- benzo[b]pyren-6-ylmethyl benzoate
- 42978-42-7
- DTXSID80195600
- BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-
- 6-BENZOYLOXYMETHYLBENZO[A]PYRENE
- benzo[a]pyren-6-ylmethyl benzoate
- BRN 2483705
-
- Inchi： 1S/C28H18O2/c29-28(20-7-2-1-3-8-20)30-17-25-22-12-5-4-11-21(22)23-15-13-18-9-6-10-19-14-16-24(25)27(23)26(18)19/h1-16H,17H2
- InChI Key： MEGZLHDPOVJNPI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC1=C2C=CC=CC2=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 386.130679813g/mol
- Monoisotopic Mass: 386.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 622
- 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: 7.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.0949 (rough estimate)
- Boiling Point: 472.64°C (rough estimate)
- Refractive Index: 1.4875 (estimate)
6-Benzoyloxymethylbenzo(a)pyrene Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
42978-42-7 (6-Benzoyloxymethylbenzo(a)pyrene) Related Products
- 120-51-4(Benzyl benzoate)
- 2459-25-8(Methyl 2-naphthoate)
- 636-53-3(Diethyl isophthalate)
- 120-33-2(Ethyl 3-methylbenzoate)
- 81-30-1(1,4,5,8-Naphthalenetetracarboxylic dianhydride)
- 94-08-6(Ethyl p-toluate)
- 636-09-9(Diethyl terephthalate)
- 840-65-3(Dimethyl naphthalene-2,6-dicarboxylate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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