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Substance Name: 2-Methylpropyl-2-propynyl phenylphosphonate
RN: 27442-58-6
InChIKey: ZILCWJCEYQKAFV-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-O3-P

Molecular Weight

  • 252.248
 
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Names and Synonyms

Name of Substance

  • 2-Methylpropyl-2-propynyl phenylphosphonate

Synonyms

  • NIA 16824
  • Phenylphosphonic acid isobutyl 2-propynyl ester

Systematic Names

  • Phosphonic acid, phenyl-, 2-methylpropyl 2-propynyl ester (9CI)
  • Phosphonic acid, phenyl-, isobutyl 2-propynyl ester

Registry Numbers

CAS Registry Number

  • 27442-58-6

System Generated Number

  • 0027442586

Structure Descriptors

InChI

1S/C13H17O3P/c1-4-10-15-17(14,16-11-12(2)3)13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3

InChIKey

ZILCWJCEYQKAFV-UHFFFAOYSA-N

Smiles

c1(ccccc1)[P@@](=O)(OCC#C)OCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2500mg/kg (2500mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 18, Pg. 753, 1970.
rat LD50 oral 600mg/kg (600mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 18, Pg. 753, 1970.