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| Name |
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) |
EINECS | N/A |
| CAS No. | 5736-15-2 | Density | g/cm3 |
| PSA | 40.46000 | LogP | 6.60900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H5Cl6O2•Na | Boiling Point | 470.9°Cat760mmHg |
| Molecular Weight | 428.87 | Flash Point | 238.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. A fungicide and disinfectant. When heated to decomposition it emits toxic fumes of Cl− and Na2O. See also CHLOROPHENOLS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) Chemical Properties
Molecule structure of Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) (CAS NO.5736-15-2) :
IUPAC Name: sodium 3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenolate
Molecular Weight: 428.88537 g/mol
Molecular Formula: C13H5Cl6NaO2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 427.82889
MonoIsotopic Mass: 425.83184
Topological Polar Surface Area: 43.3
Heavy Atom Count: 22
Complexity: 365
Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)[O-])O)Cl.[Na+]
InChI: InChI=1S/C13H6Cl6O2.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-1
InChIKey: JNAQOQQXXBMQKT-UHFFFAOYSA-M
EINECS of Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) (CAS NO.5736-15-2) : 227-245-8
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) Toxicity Data With Reference
| 1. | orl-rat LD50:560 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C133. | ||
| 2. | orl-qal LD50:575 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C133. | ||
| 3. | orl-dck LD50:1450 mg/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C133. |
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) Consensus Reports
Chlorophenol compounds are on the Community Right-To-Know List.
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) Safety Profile
Moderately toxic by ingestion. A fungicide and disinfectant. When heated to decomposition it emits toxic fumes of Cl− and Na2O. See also CHLOROPHENOLS.
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) Specification
Monosodium salt of 2,2'-methylene bis(3,4,6-trichlorophenol) (CAS NO.5736-15-2) is also called 2,2'-Methylenebis(3,4,6-trichlorophenol) monosodium salt ; 2,2'-Methylenebis(3,4,6-trichlorophenol) sodium salt ; Caswell No. 566A ; EPA Pesticide Chemical Code 044902 ; Hexachlorophene monosodium salt ; Isobac ; Isobac 20 ; Phenol, 2,2'-methylenebis(3,4,6-trichloro-, monosodium salt ; Sodium hydrogen 2,2'-methylenebis(3,4,6-trichlorophenolate) ; Sodium, (3,4,6-trichloro-alpha-(2,3,5-trichloro-6-hydroxyphenyl)-o-tolyl)oxy- .
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