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Cas Database |
| Name |
4-Hydroxynonachlorodiphenyl ether |
EINECS | N/A |
| CAS No. | 21567-21-5 | Density | 1.865g/cm3 |
| PSA | 29.46000 | LogP | 9.06510 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H Cl9 O2 | Boiling Point | 444.6°Cat760mmHg |
| Molecular Weight | 496.216 | Flash Point | 222.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison. |
| Synonyms |
Phenol,2,3,5,6-tetrachloro-4-(pentachlorophenoxy)- (6CI,8CI,9CI);4-Hydroxynonachlorodiphenyl ether; Nonachloro-4-phenoxyphenol |
Article Data | 2 |
4-Hydroxynonachlorodiphenyl ether Chemical Properties
Product Name: 4-Hydroxynonachlorodiphenyl ether (CAS NO.21567-21-5)
Molecular Formula: C12HCl9O2
Molecular Weight: 496.18g/mol
Mol File: 21567-21-5.mol
Boiling point: 444.6 °C at 760 mmHg
Flash Point: 222.7 °C
Density: 1.865 g/cm3
Surface Tension: 58.6 dyne/cm
Enthalpy of Vaporization: 72.95 kJ/mol
Vapour Pressure: 1.61E-08 mmHg at 25°C
XLogP3-AA: 9.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-Hydroxynonachlorodiphenyl ether (CAS NO.21567-21-5):
IUPAC Name: 2,3,5,6-Tetrachloro-4-(2,3,4,5,6-pentachlorophenoxy)phenol
Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
InChI: InChI=1S/C12HCl9O2/c13-1-2(14)6(18)11(7(19)3(1)15)23-12-8(20)4(16)10(22)5(17)9(12)21/h22H
InChIKey: ZVVFIXFTAITHQK-UHFFFAOYSA-N
4-Hydroxynonachlorodiphenyl ether Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 126mg/kg (126mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Journal of Toxicology and Environmental Health. Vol. 10, Pg. 699, 1982. |
4-Hydroxynonachlorodiphenyl ether Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl−.
4-Hydroxynonachlorodiphenyl ether Specification
4-Hydroxynonachlorodiphenyl ether , its CAS NO. is 21567-21-5, the synonyms are 2,3,5,6-Tetrachloro-4-(pentachlorophenoxy)phenol ; 4-06-00-05776 (Beilstein Handbook Reference) ; BRN 2313237 ; Nonachloro-4-phenoxyphenol ; Phenol, 2,3,5,6-tetrachloro-4-(pentachlorophenoxy)- .
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