Cas no 30866-56-9 (1,3,5-Pentanetrione,1-(2-chlorophenyl)-5-phenyl-)
30866-56-9 structure
Product Name:1,3,5-Pentanetrione,1-(2-chlorophenyl)-5-phenyl-
CAS No:30866-56-9
MF:C17H13ClO3
MW:300.736324071884
CID:319588
PubChem ID:257578
Update Time:2025-04-19
1,3,5-Pentanetrione,1-(2-chlorophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Pentanetrione,1-(2-chlorophenyl)-5-phenyl-
- 1-(2-chlorophenyl)-5-phenylpentane-1,3,5-trione
- DTXSID90953051
- 30866-56-9
- NSC85714
- NSC-85714
-
- Inchi： 1S/C17H13ClO3/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： NECJZFQJCVKVEE-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(CC(CC(C1C=CC=CC=1)=O)=O)=O
Computed Properties
- Exact Mass: 300.05539
- Monoisotopic Mass: 300.055
- 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: 3.6
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- Density: 1.258
- Boiling Point: 429.7°C at 760 mmHg
- Flash Point: 181.4°C
- Refractive Index: 1.584
- PSA: 51.21
- LogP: 3.75490
1,3,5-Pentanetrione,1-(2-chlorophenyl)-5-phenyl- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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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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3. 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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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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