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Substance Name: Nitralin [BSI:ISO]
RN: 4726-14-1
UNII: 697W0VS4HQ
InChIKey: UMKANAFDOQQUKE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C13-H19-N3-O6-S

Molecular Weight

  • 345.374
 
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Names and Synonyms

Results Name

  • Nitralin [BSI:ISO]

Name of Substance

  • Nitralin
  • Nitralin [BSI:ISO]

Synonyms

  • 2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline
  • 2,6-Dinitro-N,N-dipropyl-4-(methylsulfonyl)benzenamine
  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylaniline
  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzeneamine
  • 4-Methylsulphonyl-2,6-dinitro-N,N-dipropylaniline
  • AI3-61434
  • Aniline, 2,6-dinitro-N,N-dipropyl-4-(methylsulfonyl)-
  • Aniline, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • BRN 2821337
  • Caswell No. 578
  • EINECS 225-219-0
  • EPA Pesticide Chemical Code 037601
  • HSDB 789
  • Nitralin
  • Nitraline
  • Planavin
  • Planavin 75
  • Planuin
  • SD 11831
  • UNII-697W0VS4HQ

Systematic Names

  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
  • Aniline, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl- (7CI,8CI)
  • Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(methylsulfonlyl)-
  • Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • Nitralin

Registry Numbers

CAS Registry Number

  • 4726-14-1

FDA UNII

  • 697W0VS4HQ

System Generated Number

  • 0004726141

Structure Descriptors

InChI

1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3

InChIKey

UMKANAFDOQQUKE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   Shell Chemical Company.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Shell Chemical Company.
rat LD50 oral > 2gm/kg (2000mg/kg)   Merck Index. Vol. 11, Pg. 1039, 1989.
rat LD50 skin > 2gm/kg (2000mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 150 deg C   EXP
log P (octanol-water) 2.920 (none)   EST
Water Solubility 0.6 mg/L 25 EXP
Vapor Pressure 9.30E-09 mm Hg 20 EXP
Henry's Law Constant 7.04E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.51E-11 cm3/molecule-sec 25 EST

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