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Substance Name: Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate
RN: 14745-61-0
InChIKey: MPSBJALJTVPVHN-UHFFFAOYSA-N

Molecular Formula

  • C18-H22-Cl3-O6-P

Molecular Weight

  • 471.699
 
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Names and Synonyms

Synonym

  • 3-Chloro-7-hydroxy-4-methylcoumarin bis(4-chlorobutyl)phosphate

Systematic Names

  • Coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(4-chlorobutyl)phosphate
  • Phosphoric acid, bis(4-chlorobutyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (9CI)

Registry Numbers

CAS Registry Number

  • 14745-61-0

System Generated Number

  • 0014745610

Structure Descriptors

InChI

1S/C18H22Cl3O6P/c1-13-15-7-6-14(12-16(15)26-18(22)17(13)21)27-28(23,24-10-4-2-8-19)25-11-5-3-9-20/h6-7,12H,2-5,8-11H2,1H3

InChIKey

MPSBJALJTVPVHN-UHFFFAOYSA-N

Smiles

c1(c(c(C)c2c(o1)cc(OP(=O)(OCCCCCl)OCCCCCl)cc2)Cl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 100mg/kg (100mg/kg)   Biochemical Pharmacology. Vol. 16, Pg. 1183, 1967.