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Substance Name: Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2-chloropropyl)phosphate
RN: 4482-85-3
InChIKey: YPYDHHNOVXXEOE-UHFFFAOYSA-N

Molecular Formula

  • C16-H18-Cl3-O6-P

Molecular Weight

  • 443.645
 
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Names and Synonyms

  • 1-Propanol, 2-chloro-, hydrogen phosphate, ester with 3-chloro-7-hydroxy-4-methylcoumarin
  • Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2-chloropropyl)phosphate
  • Phosphoric acid, 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl bis(2-chloropropyl) ester

Registry Numbers

CAS Registry Number

  • 4482-85-3

System Generated Number

  • 0004482853

Structure Descriptors

InChI

1S/C16H18Cl3O6P/c1-9(17)7-22-26(21,23-8-10(2)18)25-12-4-5-13-11(3)15(19)16(20)24-14(13)6-12/h4-6,9-10H,7-8H2,1-3H3

InChIKey

YPYDHHNOVXXEOE-UHFFFAOYSA-N

Smiles

P(Oc1cc2c(c(c(Cl)c(o2)=O)C)cc1)(OC[C@@H](C)Cl)(OC[C@@H](C)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 intraperitoneal > 800mg/kg (800mg/kg)   Biochemical Pharmacology. Vol. 16, Pg. 1183, 1967.
rat LD50 oral 686mg/kg (686mg/kg)   Biochemical Pharmacology. Vol. 16, Pg. 1183, 1967.