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Substance Name: Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-
RN: 54010-81-0
InChIKey: NFIYHTDQVCRJKR-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C18-H21-N-O3

Molecular Weight

  • 299.368
 
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Names and Synonyms

Synonyms

  • 1-Ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)benzene
  • BRN 2058569

Systematic Name

  • Benzene, 1-ethoxy-4-(1-(4-methylphenyl)-2-nitropropyl)-

Registry Numbers

CAS Registry Number

  • 54010-81-0

System Generated Number

  • 0054010810

Structure Descriptors

InChI

1S/C18H21NO3/c1-4-22-17-11-9-16(10-12-17)18(14(3)19(20)21)15-7-5-13(2)6-8-15/h5-12,14,18H,4H2,1-3H3

InChIKey

NFIYHTDQVCRJKR-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])C)ccc(OCC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 859, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.820 (none)   EST
Water Solubility 0.388 mg/L 25 EST
Vapor Pressure 6.96E-07 mm Hg 25 EST
Henry's Law Constant 4.19E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.87E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.