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78-12-6

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Basic Information
CAS No.: 78-12-6
Name: 2,2,2-trichloro-1-[3-(2,2,2-trichloro-1-hydroxy-ethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxy-ethoxy)methyl]propoxy]ethanol
Molecular Structure:
Molecular Structure of 78-12-6 (2,2,2-trichloro-1-[3-(2,2,2-trichloro-1-hydroxy-ethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxy-ethoxy)methyl]propoxy]ethanol)
Formula: C13H16 Cl12 O8
Molecular Weight: 725.701
Synonyms: Ethanol,1,1',1'',1'''-(neopentanetetrayltetraoxy)tetrakis[2,2,2-trichloro-(6CI,7CI,8CI); Pentaerythritol chloral; Pentaerythritol tetrachloralhemiacetal; Perichlor; Periclor; Petrichloral
Density: 1.828g/cm3
Melting Point: 52-54°
Boiling Point: 617.3°C at 760 mmHg
Flash Point: 327.1°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
PSA: 117.84000
LogP: 4.79360
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Chemistry

IUPAC Name: 2,2,2-Trichloro-1-[3-(2,2,2-trichloro-1-hydroxyethoxy)-2,2-bis[(2,2,2-trichloro-1-hydroxyethoxy)methyl]propoxy]ethanol
Synonyms: 1,1'-[2,2-Bis[(2,2,2-Trichloro-1-hydroxyethoxy)methyl]-1,3-propanediylbis(oxy)]bis[2,2,2-trichloroethanol] ; 1,1',1'',1'''-(Neopentanetetrayltetraoxy)tetrakis(2,2,2-trichloroethanol) ; 1,1',1'',1'''-(Neopentanetetryltetraoxy)tetrakis(2,2,2-trichloroethanol)
CAS NO:78-12-6
Molecular Formula of 1,1',1'',1'''-(Neopentane tetrayltetrao-xy)tetrakis(2,2,2-trichloroethanol) (CAS NO.78-12-6) : C13H16Cl12O8
Molecular Weight of 1,1',1'',1'''-(Neopentane tetrayltetrao-xy)tetrakis(2,2,2-trichloroethanol) (CAS NO.78-12-6) :725.6973
Molecular Structure of 1,1',1'',1'''-(Neopentane tetrayltetrao-xy)tetrakis(2,2,2-trichloroethanol) (CAS NO.78-12-6) :
Index of Refraction: 1.586
Surface Tension: 63.6 dyne/cm
Density: 1.828 g/cm3
Flash Point: 327.1 °C
Enthalpy of Vaporization: 104.97 kJ/mol
Boiling Point: 617.3 °C at 760 mmHg
Vapour Pressure: 8.03E-18 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1030mg/kg (1030mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 422, 1972.
rat LD50 oral > 897mg/kg (897mg/kg)   Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.

 

 

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, ALIPHATIC.