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Substance Name: Isopropalin [ANSI:BSI:ISO]
RN: 33820-53-0
UNII: 52GZD1I41N
InChIKey: NEKOXWSIMFDGMA-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C15-H23-N3-O4

Molecular Weight

  • 309.364
 
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Names and Synonyms

Results Name

  • Isopropalin [ANSI:BSI:ISO]

Name of Substance

  • Isopropalin
  • Isopropalin [ANSI:BSI:ISO]

Synonyms

  • 2,6-Dinitro-N,N-dipropyl-4-isopropylaniline
  • 2,6-Dinitro-N,N-dipropylcumidine
  • 4-(1-Methylethyl)-2,6-dinitro-N,N-dipropylbenzenamine
  • 4-Isopropyl-2,6-dinitro-N,N-dipropylaniline
  • Benzenamine, 4-(1-methylethyl)-2,6-dinitro-N,N-dipropyl- (9CI)
  • BRN 2762577
  • Caswell No. 506A
  • Cumidine, 2,6-dinitro-N,N-dipropyl-
  • EINECS 251-690-7
  • EL-179
  • EPA Pesticide Chemical Code 100201
  • HSDB 6687
  • Isopropalin
  • Isopropaline
  • Isopropaline [ISO-French]
  • Paarlan
  • UNII-52GZD1I41N

Systematic Names

  • 2,6-Dinitro-N,N-dipropylcumidine
  • Aniline, 2,6-dinitro-N,N-dipropyl-p-isopropyl-
  • Benzenamine, 4-(1-methylethyl)-2,6-dinitro-N,N-dipropyl-
  • Benzenamine, 4-(1-methylethyl)-2,6-dinitro-N,N-dipropyl- (9CI)
  • Isopropalin

Superlist Name

  • Isopropalin

Registry Numbers

CAS Registry Number

  • 33820-53-0

FDA UNII

  • 52GZD1I41N

Other Registry Number

  • 34113-21-8

System Generated Number

  • 0033820530

Structure Descriptors

InChI

1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3

InChIKey

NEKOXWSIMFDGMA-UHFFFAOYSA-N

Smiles

c1(c(cc(C(C)C)cc1[N+](=O)[O-])[N+](=O)[O-])N(CCC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A571, Pg. 1985,
dog LDLo oral > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 505, 1991.
duck LD50 oral 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A571, Pg. 1985,
mouse LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 505, 1991.
quail LD50 oral 1gm/kg (1000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A571, Pg. 1985,
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 505, 1991.
rabbit LDLo oral > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 505, 1991.
rat LD50 oral 5gm/kg (5000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 45, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.800 (none)   EST
Water Solubility 0.11 mg/L 25 EXP
Vapor Pressure 3.00E-05 mm Hg 25 EXP
Henry's Law Constant 1.11E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-11 cm3/molecule-sec 25 EST

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