Product Name

  • Name

    AF-64A-P

  • EINECS
  • CAS No. 63918-38-7
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C6H14NO•C6H2N3O9S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 408.346
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFONATES, PICRIC ACID, and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 63918-38-7 (AF-64A-P)
  • Hazard Symbols
  • Synonyms C6H14NO.C6H2N3O9S;
  • PSA 223.27000
  • LogP 2.75350

Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Chemical Properties

IUPAC Name: 2-(1-ethylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate 
Empirical Formula: C12H16N4O10S
Molecular Weight: 408.3412g/mol 
H-Bond Donor: 1
H-Bond Acceptor: 10
Rotatable Bond Count: 3
Exact Mass: 408.058713
MonoIsotopic Mass: 408.058713
Topological Polar Surface Area: 207
Heavy Atom Count: 27
Formal Charge: 0
Complexity: 535
Canonical SMILES: CC[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])
[N+](=O)[O-]
InChI: InChI=1S/C6H3N3O9S.C6H14NO/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-2-7(3-4-7)5-6-8/h1-2H,(H,16,17,18);8H,2-6H2,1H3/q;+1/p-1
InChIKey: GUVVOTFAZHZDHR-UHFFFAOYSA-M
Structure of Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate (CAS NO.11135-81-2):

Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Toxicity Data With Reference

1.    

scu-mus LD50:5500 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.
2.    

ivn-mus LD50:5 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.
3.    

ivn-rbt LDLo:5 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224.

Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Safety Profile

Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also SULFONATES, PICRIC ACID, and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.

Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate Specification

   Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate , its cas register number is 63918-38-7. It also can be called 1-Ethyl-1-(beta-hydroxyethyl)ethylenimonium picrylsulfonate ; Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, salt with 2,4,6-
trinitrobenzenesulfonic acid ; Ethylenimonium, ethyl(2-hydroxyethyl)-, picrylsulfonate .

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