Cas no 50381-90-3 ( )
structure
Product Name:
CAS No:50381-90-3
MF:C19H16I2N2O2
MW:558.151489257813
CID:933670
PubChem ID:300441
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-[5-(4-cyano-2-iodophenoxy)pentoxy]-3-iodobenzonitrile
- 1.5-Bis-(2-jod-4-cyan-phenoxy)-pentan
- 3,3'-diiodo-4,4'-pentanediyldioxy-di-benzonitrile
- 3,3'-Dijod-4,4'-pentandiyldioxy-di-benzonitril
- AC1L6WC5
- NSC174859
- 4,4'-[Pentane-1,5-diylbis(oxy)]bis(3-iodobenzonitrile)
- NSC-174859
- DTXSID60306277
- 50381-90-3
-
-
- Inchi： 1S/C19H16I2N2O2/c20-16-10-14(12-22)4-6-18(16)24-8-2-1-3-9-25-19-7-5-15(13-23)11-17(19)21/h4-7,10-11H,1-3,8-9H2
- InChI Key： LZPCAOORVVSZNK-UHFFFAOYSA-N
- SMILES： IC1C=C(C#N)C=CC=1OCCCCCOC1C=CC(C#N)=CC=1I
Computed Properties
- Exact Mass: 557.92928
- Monoisotopic Mass: 557.93
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 454
- 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: 5.4
- Topological Polar Surface Area: 66?2
Experimental Properties
- Density: 1.84
- Boiling Point: 626.4°C at 760 mmHg
- Flash Point: 332.6°C
- Refractive Index: 1.671
- PSA: 66.04
- LogP: 5.26726
Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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