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Substance Name: Dinitramine [ANSI:BSI:ISO]
RN: 29091-05-2
UNII: XHQ6D15979
InChIKey: OFDYMSKSGFSLLM-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Out-Dated Pesticide

Molecular Formula

  • C11-H13-F3-N4-O4

Molecular Weight

  • 322.242
 
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Names and Synonyms

Results Name

  • Dinitramine [ANSI:BSI:ISO]

Name of Substance

  • Dinitramine
  • Dinitramine [ANSI:BSI:ISO]

Synonyms

  • 1,3-Benzenediamine, N(sup 3),N(sup 3)-diethyl-2,4-dinitro-6-(trifluoromethyl)-
  • 3-Diethylamino-2,4-dinitro-6-trifluoromethylaniline
  • AI3-62693
  • BRN 2822138
  • Caswell No. 335C
  • Cobeko
  • Cobex
  • Cobex (herbicide)
  • Cobexo
  • Dinitramine
  • EINECS 249-419-2
  • EPA Pesticide Chemical Code 102301
  • HSDB 6617
  • N(sup 3),N(sup 3)-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine
  • N(sup 4),N(sup 4)-Diethyl-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene-2,4-diamine
  • N,N-Diethyl-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene-2,4-diamine
  • N,N-Diethyl-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene-2,4-diamine [ISO]
  • N1,N1-Diethyl-2,6-dinitro-4-(trifluoromethyl)-1,3-benzenediamine (9CI)
  • N1,N1-Diethyl-2,6-dinitro-4-trifluoromethyl-m-phenylenediamine
  • N3,N3-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine (9CI)
  • N3,N3-Diethyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine
  • N4,N4-Diethyl-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene-2,4-diamine (8CI)
  • Toluene-2,4-diamine, N(sup 4),N(sup 4)-diethyl-alpha,alpha,alpha-trifluoro-3,5-dinitro-
  • UNII-XHQ6D15979
  • USB-3584

Systematic Names

  • 1,3-Benzenediamine, N1,N1-diethyl-2,6-dinitro-4-(trifluoromethyl)-
  • 1,3-Benzenediamine, N3,N3-diethyl-2,4-dinitro-6-(trifluoromethyl)-
  • Dinitramine
  • N(3),N(3)-Diethyl-2,4-dinitro-6-trifluoromethyl-m-phenylenediamine
  • Toluene-2,4-diamine, N(sup 4),N(sup 4)-diethyl-3,5-dinitro-alpha,alpha,alpha-trifluoro-

Superlist Name

  • N3,N3-Diethyl-2,4-dinitro-6-(trifluoromethyl)-1,3-benzenediamine

Registry Numbers

CAS Registry Number

  • 29091-05-2

FDA UNII

  • XHQ6D15979

System Generated Number

  • 0029091052

Structure Descriptors

InChI

1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3

InChIKey

OFDYMSKSGFSLLM-UHFFFAOYSA-N

Smiles

c1(c(c(c(C(F)(F)F)cc1[N+](=O)[O-])N)[N+](=O)[O-])N(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 302, 1991.
quail LD50 oral > 1200mg/kg (1200mg/kg)   Pesticide Manual. Vol. 9, Pg. 302, 1991.
rabbit LD50 skin 2gm/kg (2000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C109, 1991.
rat LD50 oral 3gm/kg (3000mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 80, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 98 deg C   EXP
log P (octanol-water) 4.3 (none)   EXP
Water Solubility 1.1 mg/L 25 EXP
Vapor Pressure 3.60E-06 mm Hg 25 EXP
Henry's Law Constant 1.39E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.77E-11 cm3/molecule-sec 25 EST

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