Cas no 94339-61-4 (Phenol,2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)-)
94339-61-4 structure
Product Name:Phenol,2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)-
CAS No:94339-61-4
MF:C12H3Cl7O2
MW:427.322016954422
CID:815690
PubChem ID:186546
Update Time:2025-04-19
Phenol,2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)-
- 2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)phenol
- 94339-61-4
- Phenol, 2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)-
- DTXSID30915638
-
- Inchi： 1S/C12H3Cl7O2/c13-3-1-5(9(17)10(18)7(3)15)21-6-2-4(14)8(16)11(19)12(6)20/h1-2,20H
- InChI Key： MPCJEGIYHCMNOT-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=CC=1OC1C=C(C(=C(C=1O)Cl)Cl)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 425.792323
- Monoisotopic Mass: 423.795273
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 361
- 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: 29.5
- XLogP3: 7.5
Experimental Properties
- Density: 1.765
- Boiling Point: 436°Cat760mmHg
- Flash Point: 217.5°C
- Refractive Index: 1.655
Phenol,2,3,4-trichloro-6-(2,3,4,5-tetrachlorophenoxy)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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