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Substance Name: Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2,3-dichloropropyl)phosphate
RN: 14663-70-8
InChIKey: WUBZDUFGMMDHBA-UHFFFAOYSA-N

Molecular Formula

  • C16-H16-Cl5-O6-P

Molecular Weight

  • 512.535
 
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Names and Synonyms

Synonyms

  • 3-Chloro-7-hydroxy-4-methylcoumarin bis(2,3-dichloropropyl)phosphate
  • Phosphoric acid, bis(2,3-dichloropropyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Systematic Name

  • Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2,3-dichloropropyl)phosphate

Registry Numbers

CAS Registry Number

  • 14663-70-8

System Generated Number

  • 0014663708

Structure Descriptors

InChI

1S/C16H16Cl5O6P/c1-9-13-3-2-12(4-14(13)26-16(22)15(9)21)27-28(23,24-7-10(19)5-17)25-8-11(20)6-18/h2-4,10-11H,5-8H2,1H3

InChIKey

WUBZDUFGMMDHBA-UHFFFAOYSA-N

Smiles

O(P(Oc1ccc2c(c(c(oc2c1)=O)Cl)C)(OC[C@@H](Cl)CCl)=O)C[C@@H](CCl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 1200mg/kg (1200mg/kg)   Biochemical Pharmacology. Vol. 16, Pg. 1183, 1967.