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Substance Name: Orthobenzoic acid, p-chloro-, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97719-91-0
InChIKey: FVPOTPXWFCCIHG-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-Cl-O3

Molecular Weight

  • 282.765
 
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Names and Synonyms

Synonyms

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-chlorophenyl)-
  • 4-Butyl-1-(4-chlorophenyl)bicycloorthocarboxylate
  • p-Chloroorthobenzoic acid cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

  • Orthobenzoic acid, p-chloro-, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 97719-91-0

System Generated Number

  • 0097719910

Structure Descriptors

InChI

1S/C15H19ClO3/c1-2-3-8-14-9-17-15(18-10-14,19-11-14)12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3

InChIKey

FVPOTPXWFCCIHG-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)CCCC)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.