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Basic Information
CAS No.: 31242-93-0
Name: Hexachlorodiphenyloxide
Molecular Structure:
Molecular Structure of 31242-93-0 (Hexachlorodiphenyloxide)
Formula: C12H4 Cl6 O
Molecular Weight: 376.86
Synonyms: Phenylether, hexachloro deriv. (8CI); Hexachlorodiphenyl ether
Density: 1.6245 (estimate)
Hazard Symbols: Toxic by ingestion. TLV: 0.5 mg/m3.
Safety: Moderately toxic by ingestion and probably by inhalation. Combustible when exposed to heat, flame, or oxidizing materials. To fight fire, use water spray, fog, foam, dry chemical, CO2. When heated to decomposition it emits toxic fumes of Cl−. See also ETHERS and ALDRIN (a closely related compound).

Analytical Methods:

   

For occupational chemical analysis use NIOSH: Chlorinated Diphenyl Ether, 5025.

PSA: 9.23000
LogP: 7.61590
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Chemistry

IUPAC Name: 1,3,5-Trichloro-2-(2,4,6-trichlorophenoxy)benzene 
Following is the structure of Chlorinated diphenyl oxide (CAS NO.31242-93-0):
                     
Empirical Formula: C12H4Cl6O
Molecular Weight: 376.8776 g/mol
Surface Tension: 49.1 dyne/cm
Index of Refraction: 1.626
Density: 1.626 g/cm3
Flash Point: 122.5 °C
Enthalpy of Vaporization: 58.31 kJ/mol
Boiling Point: 361.2 °C at 760 mmHg
Vapour Pressure of Chlorinated diphenyl oxide (CAS NO.31242-93-0): 4.37E-05 mmHg at 25 °C
Canonical SMILES: C1=C(C=C(C(=C1Cl)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C12H4Cl6O/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18/h1-4H
InChIKey: UPFQVVDUHJVSON-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD:>500 mg/kg

     NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),16.

Safety Profile

Moderately is toxic by ingestion and probably by inhalation. Combustible when exposed to heat, flame, or oxidizing materials. To fight fire, use water spray, fog, foam, dry chemical, CO2. When heated to decomposition, Chlorinated diphenyl oxide (CAS NO.31242-93-0) emits toxic fumes of Cl−. See also ETHERS and ALDRIN (a closely related compound).
RIDADR: 3077
HazardClass: 9
PackingGroup: III

Standards and Recommendations

OSHA PEL: TWA 0.5 mg/m3
ACGIH TLV: TWA 0.5 mg/m3
DFG MAK: 0.5 mg/m3

Analytical Methods

For occupational chemical analysis use NIOSH: Chlorinated Diphenyl Ether, 5025.

Specification

 Chlorinated diphenyl oxide , its cas register number is 31242-93-0. It also can be called 1,1'-Oxybisbenzene hexachloro deriv. ; 1,1'-Oxybishexachloro benzene, derivative ; Ether, hexachlorophenyl ; Hxachloro diphenyl oxide ; Heachlorodiphenyl ether ; Hexachlorodiphenyl oxide ; Phenyl ether, hexachloro deriv. ; Trichloro diphenyl ether ; Hexachlorodiphenyloxide ; and Trichloro diphenyl oxide .