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Substance Name: Orthobenzoic acid, o-chloro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 97720-04-2
InChIKey: JBAXKLYBIGPRMQ-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-Cl-O3

Molecular Weight

  • 282.765
 
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Names and Synonyms

Synonyms

  • 1-(2-Chlorophenyl)-4-tert-butylbicycloorthocarboxylate
  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(2-chlorophenyl)-4-(1,1-dimethylethyl)-
  • o-Chloroorthobenzoic acid cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97720-04-2

System Generated Number

  • 0097720042

Structure Descriptors

InChI

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

InChIKey

JBAXKLYBIGPRMQ-UHFFFAOYSA-N

Smiles

C12(OCC(CO1)(CO2)C(C)(C)C)c1c(cccc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/kg)   Molecular Pharmacology. Vol. 28, Pg. 246, 1985.