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Substance Name: Dinoseb acetate [BSI:ISO]
RN: 2813-95-8
UNII: 4K44988W0H
InChIKey: RDJTWDKSYLLHRW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C12-H14-N2-O6

Molecular Weight

  • 282.2506
 
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Names and Synonyms

Results Name

  • Dinoseb acetate [BSI:ISO]

Name of Substance

  • Aretit
  • Dinoseb acetate [BSI:ISO]

Synonyms

  • 2,4-Dinitro-6-s-butylfenylester kyseliny octove
  • 2,4-Dinitro-6-s-butylfenylester kyseliny octove [Czech]
  • 2,4-Dinitro-6-sek.butyl-phenylacetat
  • 2,4-Dinitro-6-sek.butyl-phenylacetat [German]
  • 2-(1-Methylpropyl)-4,6-dinitrophenyl acetate
  • 2-sec-Butyl-4,6-dinitrophenol acetate (ester)
  • 2-sec-Butyl-4,6-dinitrophenyl acetate
  • 2-sec-Butyl-4,6-dinitrophenylacetate
  • 2-sek.Butyl-4,6-dinitrofenylester kyseliny octove
  • 2-sek.Butyl-4,6-dinitrofenylester kyseliny octove [Czech]
  • 4,6-Dinitro-2-s-butylphenyl acetate
  • 6-sec-Butyl-2,4-dinitrophenylacetate
  • Acetic acid, (2,4-dinitro-6-s-butylphenyl) ester
  • Acetic acid, (4,6-dinitro-2-s-butylphenyl) ester
  • Aretit
  • beta-(2-Hydroxy-3,5-dinitrophenyl)butane acetate
  • BRN 2337708
  • Dinoseb acetate
  • Dinoseb-acetate
  • Dinosebe acetate
  • Dinosebe acetate [ISO-French]
  • EINECS 220-560-1
  • HOE 2904
  • Ivosit
  • O-Acetyl-2-sec-butyl-4,6-dinitrophenol
  • UNII-4K44988W0H

Systematic Names

  • Acetic acid, 2-(sec-butyl)-4,6-dinitrophenyl ester
  • Dinoseb acetate
  • Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate (ester)
  • Phenol, 2-(1-methylpropyl)-4,6-dinitro-, acetate (ester) (9CI)
  • Phenol, 2-sec-butyl-4,6-dinitro-, acetate (ester) (8CI)

Superlist Name

  • Dinoseb acetate

Registry Numbers

CAS Registry Number

  • 2813-95-8

FDA UNII

  • 4K44988W0H

System Generated Number

  • 0002813958

Structure Descriptors

InChI

1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3

InChIKey

RDJTWDKSYLLHRW-UHFFFAOYSA-N

Smiles

CCC(C)c1cc(cc(c1OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 40mg/kg (40mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 229, 1973.
mouse LD50 oral 51250ug/kg (51.25mg/kg)   Yakkyoku. Pharmacy. Vol. 36, Pg. 387, 1985.
rat LC50 inhalation 1300mg/m3/4H (1300mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A160, Pg. 1983,
rat LD50 oral 60mg/kg (60mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C26, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 26 deg C   EXP
log P (octanol-water) 3.170 (none)   EST
Water Solubility 2200 mg/L 25 EXP
Vapor Pressure 6.00E-04 mm Hg 20 EXP
Henry's Law Constant 1.01E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.94E-12 cm3/molecule-sec 25 EST

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