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Substance Name: Petrichloral [INN]
RN: 78-12-6
UNII: U49LID4UYJ
InChIKey: OKACKALPXHBEMA-UHFFFAOYSA-N

Classification Code

  • DEA Schedule IV

Molecular Formula

  • C13-H16-Cl12-O8

Molecular Weight

  • 725.6974
 
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Names and Synonyms

Name of Substance

  • Petrichloral [INN]

Synonyms

  • 1,1',1'',1'''-(Neopentanetetrayltetraoxy)tetrakis(2,2,2-trichloroethanol)
  • 1,1',1',1'''-(Neopentanetetryltetraoxy)tetrakis(2,2,2-trichloroethanol)
  • 4-01-00-03145 (Beilstein Handbook Reference)
  • BRN 1717882
  • Pentaerythritol chloral
  • Pentaerythritol chlorol
  • Perichlor
  • Periclor
  • Petrichloral
  • Petrichloralum
  • Petrichloralum [INN-Latin]
  • Petricloral
  • Petricloral [INN-Spanish]
  • UNII-U49LID4UYJ

Systematic Names

  • 1,1',1'',1'''-(Neopentanetetryltetraoxy)tetrakis(2,2,2-trichloroethanol)
  • Ethanol, 1,1',1'',1'''-(neopentanetetrayltetraoxy)tetrakis(2,2,2-trichloro-

Superlist Names

  • DEA No. 2591
  • Petrichloral

Registry Numbers

CAS Registry Number

  • 78-12-6

FDA UNII

  • U49LID4UYJ

System Generated Number

  • 0000078126

Structure Descriptors

InChI

1S/C13H16Cl12O8/c14-10(15,16)5(26)30-1-9(2-31-6(27)11(17,18)19,3-32-7(28)12(20,21)22)4-33-8(29)13(23,24)25/h5-8,26-29H,1-4H2

InChIKey

OKACKALPXHBEMA-UHFFFAOYSA-N

Smiles

C(C(COC(C(Cl)(Cl)Cl)O)(COC(C(Cl)(Cl)Cl)O)COC(C(Cl)(Cl)Cl)O)OC(C(Cl)(Cl)Cl)O

Toxicity

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Atmospheric OH Rate Constant 1.66E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.