Product Name

  • Name

    4-ketoniridazole

  • EINECS
  • CAS No. 7039-09-0
  • Density 1.789g/cm3
  • Solubility
  • Melting Point
  • Formula C6H4N4O4S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 228.188
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 7039-09-0 (4-ketoniridazole)
  • Hazard Symbols
  • Synonyms Hydantoin,1-(5-nitro-2-thiazolyl);4-Ketoniridazole;1-(5-Nitro-thiazol-2-yl)-2,4-dioxo-imidazolidine;1-(5-Nitro-2-thiazolyl)hydantoin;1-(5-nitro-thiazol-2-yl)-imidazolidine-2,4-dione;
  • PSA 139.85000
  • LogP 0.97160

4-Ketoniridazole Chemical Properties

Molecule structure of 4-Ketoniridazole (CAS NO.7039-09-0):

IUPAC Name: 1-(5-Nitro-1,3-thiazol-2-yl)imidazolidine-2,4-dione 
Molecular Weight: 228.18536 g/mol
Molecular Formula: C6H4N4O4S 
Density: 1.789 g/cm3
Index of Refraction: 1.685
Molar Refractivity: 48.47 cm3
Molar Volume: 127.5 cm3
Polarizability: 19.21×10-24 cm3
Surface Tension: 93.6 dyne/cm
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 227.995325
MonoIsotopic Mass: 227.995325
Topological Polar Surface Area: 105
Heavy Atom Count: 15
Complexity: 330
Canonical SMILES: C1C(=O)NC(=O)N1C2=NC=C(S2)[N+](=O)[O-]
InChI: InChI=1S/C6H4N4O4S/c11-3-2-9(5(12)8-3)6-7-1-4(15-6)10(13)14/h1H,2H2,(H,8,11,12)
InChIKey of 4-Ketoniridazole (CAS NO.7039-09-0): CFWSFZFUNZRIFO-UHFFFAOYSA-N

4-Ketoniridazole Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     ENMUDM    Environmental Mutagenesis. 4 (1982),320.
2.    

ipr-mus LD50:55 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 228 (1984),662.

4-Ketoniridazole Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx.

4-Ketoniridazole Specification

 4-Ketoniridazole (CAS NO.7039-09-0) is also named as 1-(5-Nitro-2-thiazolyl)hydantoin ; BRN 1081953 ;Hydantoin, 1-(5-nitro-2-thiazolyl)- .

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