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Substance Name: Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1)
RN: 107638-88-0
InChIKey: BDJHKCVPYSNTDV-UHFFFAOYSA-N

Molecular Formula

  • C11-H8-N4-O4.C4-H7-Cl4-N

Molecular Weight

  • 471.1265
 
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Names and Synonyms

Synonym

  • 2,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine

Systematic Name

  • Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 107638-88-0

System Generated Number

  • 0107638880

Molecular Formulas

Molecular Formula

  • C11-H8-N4-O4.C4-H7-Cl4-N

Molecular Formula Fragments

  • C11-H8-N4-O4
  • C4-H7-Cl4-N
  • COMPONENT

Structure Descriptors

InChI

1S/C11H8N4O4.C4H7Cl4N/c12-6-9(14(16)17)11(10(7-13)15(18)19)8-4-2-1-3-5-8;5-3(6)1-9-2-4(7)8/h1-5,9-11H;3-4,9H,1-2H2

InChIKey

BDJHKCVPYSNTDV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(C(Cl)Cl)NCC(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 315mg/kg (315mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Farmatsiya Vol. 36(5), Pg. 35, 1986.
mouse LD50 oral 520mg/kg (520mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Farmatsiya Vol. 36(5), Pg. 35, 1986.