Cas no 2109-12-8 (Phenol,2,4,6-triiodo-3-methyl-)
2109-12-8 structure
Product Name:Phenol,2,4,6-triiodo-3-methyl-
Phenol,2,4,6-triiodo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4,6-triiodo-3-methyl-
- 2,4,6-triiodo-3-methylphenol
- 2,4,6-Triiodo-m-cresol
- m-Cresol, 2,4,6-triiodo-
- EINECS 218-294-6
- NS00044844
- DTXSID80175321
- 2109-12-8
- SCHEMBL7929422
- Phenol, 2,4,6-triiodo-3-methyl-
- K5AKR6ZJ97
-
- Inchi： 1S/C7H5I3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
- InChI Key： IJHNNLYYEMRGLR-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1C)I)I)O
Computed Properties
- Exact Mass: 485.74605
- Monoisotopic Mass: 485.747
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 142
- 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
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 3.9
Experimental Properties
- Density: 2.851
- Boiling Point: 328.2°C at 760 mmHg
- Flash Point: 152.3°C
- Refractive Index: 1.783
- PSA: 20.23
Phenol,2,4,6-triiodo-3-methyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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