Product Name

  • Name

    4-hydroxynonachlorodiphenyl ether

  • EINECS
  • CAS No. 21567-21-5
  • Article Data2
  • CAS DataBase
  • Density 1.865g/cm3
  • Solubility
  • Melting Point
  • Formula C12H Cl9 O2
  • Boiling Point 444.6°Cat760mmHg
  • Molecular Weight 496.216
  • Flash Point 222.7°C
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21567-21-5 (4-hydroxynonachlorodiphenyl ether)
  • Hazard Symbols A poison.
  • Synonyms Phenol,2,3,5,6-tetrachloro-4-(pentachlorophenoxy)- (6CI,8CI,9CI);4-Hydroxynonachlorodiphenyl ether; Nonachloro-4-phenoxyphenol
  • PSA 29.46000
  • LogP 9.06510

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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