Cas no 2961-63-9 (Benzonitrile,4-hydroxy-3,5-diiodo-, potassium salt (1:1))
2961-63-9 structure
Product Name:Benzonitrile,4-hydroxy-3,5-diiodo-, potassium salt (1:1)
CAS No:2961-63-9
MF:C7H2I2KNO
MW:409.004127025604
CID:271520
PubChem ID:44151706
Update Time:2025-04-19
Benzonitrile,4-hydroxy-3,5-diiodo-, potassium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-hydroxy-3,5-diiodo-, potassium salt (1:1)
- potassium,4-cyano-2,6-diiodophenolate
- benzonitrile, 4-hydroxy-3,5-diiodo-, potassium salt
- Potassium 4-hydroxy-3,5-diiodophenylcyanide
- EINECS 220-996-2
- K4S9FKX6YP
- Benzonitrile, 4-hydroxy-3,5-diiodo-, potassium salt (1:1)
- 2961-63-9
- DTXSID30183794
-
- Inchi： 1S/C7H3I2NO.K/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H;/q;+1/p-1
- InChI Key： FJLYTRTWDLNGID-UHFFFAOYSA-M
- SMILES： IC1C=C(C#N)C=C(C=1[O-])I.[K+]
Computed Properties
- Exact Mass: 409.79319
- Monoisotopic Mass: 408.786
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.8A^2
Experimental Properties
- Boiling Point: 282.6°C at 760 mmHg
- Flash Point: 124.7°C
- PSA: 44.02
Benzonitrile,4-hydroxy-3,5-diiodo-, potassium salt (1:1) Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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