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| Name |
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate |
EINECS | N/A |
| CAS No. | 63918-55-8 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H13ClN•C6H2N3O9S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 426.82 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate Chemical Properties
IUPAC Name: 1-(2-chloroethyl)-2-ethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate
Empirical Formula: C12H15ClN4O9S
Molecular Weight: 426.7869g/mol
H-Bond Donor: 1
H-Bond Acceptor: 9
Rotatable Bond Count: 3
Exact Mass: 426.024827
MonoIsotopic Mass: 426.024827
Topological Polar Surface Area: 191
Heavy Atom Count: 27
Formal Charge: 0
Complexity: 532
Canonical SMILES: CCC1C[NH+]1CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C6H12ClN.C6H3N3O9S/c1-2-6-5-8(6)4-3-7;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h6H,2-5H2,1H3;1-2H,(H,16,17,18)
InChIKey: PWYBTCCLIGLZDR-UHFFFAOYSA-N
Structure of Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate (CAS NO.63918-55-8):
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate Toxicity Data With Reference
| 1. | ivn-rat LD50:500 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. | ||
| 2. | scu-mus LD50:2 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. | ||
| 3. | ivn-rbt LD50:3 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),224. |
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate Safety Profile
Poison by intravenous and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx and SOx.
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate Specification
Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate , its cas register number is 63918-55-8. It also can be called 1-Ethyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate . When Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate (CAS NO.63918-55-8) is heated to decomposition, it emits very toxic fumes of Cl−, NOx and SOx.
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