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| Name |
4-Ketoniridazole |
EINECS | N/A |
| CAS No. | 7039-09-0 | Density | 1.789g/cm3 |
| PSA | 139.85000 | LogP | 0.97160 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H4N4O4S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 228.188 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
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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