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21567-21-5

Basic Information
CAS No.: 21567-21-5
Name: 4-hydroxynonachlorodiphenyl ether
Article Data: 2
Molecular Structure:
Molecular Structure of 21567-21-5 (4-hydroxynonachlorodiphenyl ether)
Formula: C12H Cl9 O2
Molecular Weight: 496.216
Synonyms: Phenol,2,3,5,6-tetrachloro-4-(pentachlorophenoxy)- (6CI,8CI,9CI);4-Hydroxynonachlorodiphenyl ether; Nonachloro-4-phenoxyphenol
Density: 1.865g/cm3
Boiling Point: 444.6°Cat760mmHg
Flash Point: 222.7°C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl.
PSA: 29.46000
LogP: 9.06510
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  • 4-HYDROXYNONACHLORODIPHENYL ETHERCAS

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    4-HYDROXYNONACHLORODIPHENYL ETHERCAS

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    4-HYDROXYNONACHLORODIPHENYL ETHERCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

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

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.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl.

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)- .