Cas no 86231-09-6 (Sodium 3,4,5-trichlorophenolate)
86231-09-6 structure
Product Name:Sodium 3,4,5-trichlorophenolate
CAS No:86231-09-6
MF:C6H2Cl3NaO
MW:219.428249835968
CID:734183
PubChem ID:23662560
Update Time:2025-04-19
Sodium 3,4,5-trichlorophenolate Chemical and Physical Properties
Names and Identifiers
-
- Sodium 3,4,5-trichlorophenolate
- 86231-09-6
- DTXSID30235449
- EINECS 289-208-2
- NS00092999
-
- Inchi： 1S/C6H3Cl3O.Na/c7-4-1-3(10)2-5(8)6(4)9;/h1-2,10H;/q;+1/p-1
- InChI Key： NQBODVNQFWZLQQ-UHFFFAOYSA-M
- SMILES： ClC1=C(C=C(C=C1Cl)[O-])Cl.[Na+]
Computed Properties
- Exact Mass: 217.906892
- Monoisotopic Mass: 217.906892
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 112
- 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: 23.1
Experimental Properties
- Boiling Point: 281.3°C at 760 mmHg
- Flash Point: 123.9°C
Sodium 3,4,5-trichlorophenolate Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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