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Substance Name: Butralin [ANSI:BSI:ISO]
RN: 33629-47-9
UNII: 5CZK3K1YPB
InChIKey: SPNQRCTZKIBOAX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
  • Herbicide
  • Herbicide, Plant Growth Regulator

Molecular Formula

  • C14-H21-N3-O4

Molecular Weight

  • 295.3369
 
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Names and Synonyms

Results Name

  • Butralin [ANSI:BSI:ISO]

Name of Substance

  • Butralin
  • Butralin [ANSI:BSI:ISO]

Synonyms

  • 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzenamine
  • 70-314B
  • 72-A34
  • A 820
  • AI3-62691
  • Amchem 70-25
  • Amchem A-280
  • AMEX
  • AMEX 820
  • Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro- (8CI)
  • Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro- (9CI)
  • BRN 2947948
  • Butralin
  • Butraline
  • Butraline [ISO-French]
  • Caswell No. 125E
  • Dibutalin
  • EINECS 251-607-4
  • EPA Pesticide Chemical Code 106501
  • HSDB 7355
  • N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline
  • N-sec-Butyl-4-tert-butyl-2,6-dinitrobenzamine
  • No-Crab
  • Rutralin
  • Tamex
  • Technical AMEX-820
  • UNII-5CZK3K1YPB
  • Zitsaosol

Systematic Names

  • 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzenamine
  • 4-(tert-Butyl)-N-sec-butyl-2,6-dinitroaniline
  • Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-
  • Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-

Superlist Name

  • 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzeneamine

Registry Numbers

CAS Registry Number

  • 33629-47-9

FDA UNII

  • 5CZK3K1YPB

Other Registry Number

  • 12676-07-2

System Generated Number

  • 0033629479

Structure Descriptors

InChI

1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3

InChIKey

SPNQRCTZKIBOAX-UHFFFAOYSA-N

Smiles

CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 12600mg/kg (12600mg/kg)   Defense des Vegetaux. Vol. 32, Pg. 125, 1978.
rabbit LD50 skin 200mg/kg (200mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C55, 1991.
rat LC50 inhalation 50gm/m3/4H (50000mg/m3)   Proceedings, Southern Weed Science Society. Vol. 24, Pg. 58, 1971.
rat LD50 oral 2500mg/kg (2500mg/kg)   Proceedings, Southern Weed Science Society. Vol. 24, Pg. 58, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
log P (octanol-water) 4.93 (none)   EXP
Water Solubility 1 mg/L 25 EXP
Vapor Pressure 1.27E-05 mm Hg 25 EXP
Henry's Law Constant 4.94E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-11 cm3/molecule-sec 25 EST

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