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Benzohexonium

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  • Name Benzohexonium
  • EINECSN/A
  • CAS No. 971-60-8
  • Densityg/cm3
  • PSA131.16000
  • LogP5.30220
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H30N2•C12H10O3S
  • Boiling Point°Cat760mmHg
  • Molecular Weight436.72
  • Flash Point°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyPoison by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 971-60-8 (benzohexonium)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzohexonium Chemical Properties

Product Name: Benzohexonium (CAS NO.971-60-8)


Molecular Formula: C24H40N2O6S2
Molecular Weight: 516.7142g/mol
Mol File: 971-60-8.mol
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Benzohexonium (CAS NO.971-60-8):
  IUPAC Name: benzenesulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
  Canonical SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
  InChI: InChI=1S/C12H30N2.2C6H6O3S/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*7-10(8,9)6-4-2-1-3-5-6/h7-12H2,1-6H3;2*1-5H,(H,7,8,9)/q+2;;/p-2 
  InChIKey: KQHXGIXCFWNHSW-UHFFFAOYSA-L

Benzohexonium Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 166mg/kg (166mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 53, 1968.

Benzohexonium Safety Profile

Poison by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and SOx.

Benzohexonium Specification

 Benzohexonium , its CAS NO. is 971-60-8, the synonyms are Hexamethylenebis(trimethylammonium) dibenzenesulfonate ; 1,6-Hexanediaminium, N,N,N,N',N',N'-hexamethyl-, dibenzenesulfonate (9CI) ; Ammonium, hexamethylenebis(trimethyl-, dibenzenesulfonate ; N,N,N,N',N',N'-Hexamethyl-1,6-hexanediaminium, dibenzenesulfonate .

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