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Substance Name: s-Tetroxane, 3,6-diphenyl- compd. with tritolylphosphate (1:1)
RN: 72378-88-2
InChIKey: CMYREPOYIOIDFH-UHFFFAOYSA-N

Molecular Formula

  • C14-H12-O4.C21-H21-O4-P

Molecular Weight

  • 612.6117
 
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Names and Synonyms

Synonyms

  • Phosphoric acid, tritolyl ester compd. with 3,6-diphenyl-s-tetroxane (1:1)
  • s-Teroxane, 3,6-diphenyl- with x-tolyl phosphate, tri- (1:1)

Systematic Name

  • s-Tetroxane, 3,6-diphenyl- compd. with tritolylphosphate (1:1)

Registry Numbers

CAS Registry Number

  • 72378-88-2

System Generated Number

  • 0072378882

Molecular Formulas

Molecular Formula

  • C14-H12-O4.C21-H21-O4-P

Molecular Formula Fragments

  • C14-H12-O4
  • C21-H21-O4-P
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21O4P.C14H12O4/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3;1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12/h4-15H,1-3H3;1-10,13-14H

InChIKey

CMYREPOYIOIDFH-UHFFFAOYSA-N

Smiles

Cc1ccccc1OP(=O)(Oc2ccccc2C)Oc3ccccc3C.c1ccc(cc1)C2OOC(OO2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 64mg/kg (64mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 244, 1950.