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Substance Name: Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
RN: 3101-79-9
InChIKey: OWNIKMONWNDTAV-UHFFFAOYSA-N

Classification Code

  • Agricultural Chemical

Molecular Formula

  • C6-H7-N.C6-H3-N3-O6

Molecular Weight

  • 306.233
 
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Names and Synonyms

Synonyms

  • 1,3,5-Trinitrobenzene aniline salt
  • Aniline compd. with s-trinitrobenzene (1:1)
  • Aniline complex with trinitrobenzene
  • Aniline compound with s-trinitrobenzene
  • Aniline, compd. with 1,3,5-trinitrobenzene (1:1) (8CI)
  • Aniline-1,3,5-trinitrobenzene 1:1 complex
  • Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)
  • Caswell No. 894
  • EPA Pesticide Chemical Code 056503
  • NSC 408002
  • Trinitrobenzene - aniline complex
  • Trinitrobenzene-aniline complex

Systematic Names

  • Aniline, compd. with 1,3,5-trinitrobenzene (1:1) (8CI)
  • Benzenamine, compd. with 1,3,5-trinitrobenzene (1:1)

Registry Numbers

CAS Registry Number

  • 3101-79-9

System Generated Number

  • 0003101799

Molecular Formulas

Molecular Formula

  • C6-H7-N.C6-H3-N3-O6

Molecular Formula Fragments

  • C6-H3-N3-O6
  • C6-H7-N
  • COMPONENT

Structure Descriptors

InChI

1S/C6H3N3O6.C6H7N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-6-4-2-1-3-5-6/h1-3H;1-5H,7H2

InChIKey

OWNIKMONWNDTAV-UHFFFAOYSA-N

Smiles

c1([N+](=O)[O-])cc([N+]([O-])=O)cc(c1)[N+](=O)[O-].c1(ccccc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1070mg/kg (1070mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rat LD50 oral 375mg/kg (375mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Agricultural and Food Chemistry. Vol. 3, Pg. 936, 1955.