Cas no 30866-57-0 (1,3,5-Pentanetrione,1-(2-bromophenyl)-5-phenyl-)
30866-57-0 structure
Product Name:1,3,5-Pentanetrione,1-(2-bromophenyl)-5-phenyl-
CAS No:30866-57-0
MF:C17H13BrO3
MW:345.187324285507
CID:322261
PubChem ID:261079
Update Time:2025-04-19
1,3,5-Pentanetrione,1-(2-bromophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Pentanetrione,1-(2-bromophenyl)-5-phenyl-
- 1-(2-bromophenyl)-5-phenylpentane-1,3,5-trione
- NSC-92958
- NSC92958
- DTXSID50953052
- 30866-57-0
-
- Inchi： 1S/C17H13BrO3/c18-15-9-5-4-8-14(15)17(21)11-13(19)10-16(20)12-6-2-1-3-7-12/h1-9H,10-11H2
- InChI Key： CUFSGLPMXNBLTM-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C(CC(CC(C1C=CC=CC=1)=O)=O)=O
Computed Properties
- Exact Mass: 344.00479
- Monoisotopic Mass: 344.005
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 399
- 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: 3.7
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- Density: 1.419
- Boiling Point: 470°Cat760mmHg
- Flash Point: 125.9°C
- Refractive Index: 1.597
- PSA: 51.21
- LogP: 3.86400
1,3,5-Pentanetrione,1-(2-bromophenyl)-5-phenyl- Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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