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| CAS No.: | 7046-61-9 |
|---|---|
| Name: | (Nitroimino)diethylenediisocyanate |
| Molecular Structure: | |
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| Formula: | C6H8N4O4 |
| Molecular Weight: | 200.18 |
| Synonyms: | Isocyanic acid,(nitroimino)diethylene ester;3-Nitro-3-azapentane-1,5-diisocyanate;ISOCYANIC ACID,NITROIMINODIETHYLENEDI;3-Nitraza-1,5-pentan-diisocyanat;Ethanamine,2-isocyanato-N-(2-isocyanatoethyl)-N-nitro;Nitroiminodiethylenediisocyanic acid; |
| Density: | 1.34g/cm3 |
| Boiling Point: | 380.5°C at 760 mmHg |
| Flash Point: | 183.9°C |
| Safety: | Poison by intravenous route. A sensitizer. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 107.92000 |
| LogP: | -0.32510 |
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Chemistry
Empirical Formula of Nitroiminodiethylenediisocyanic acid (CAS NO.7046-61-9): C6H8N4O4
Molecular Weight: 200.1521
Index of Refraction: 1.55
Density: 1.34 g/cm3
Flash Point: 183.9 °C
Enthalpy of Vaporization: 62.86 kJ/mol
Boiling Point: 380.5 °C at 760 mmHg
Vapour Pressure: 5.43E-06 mmHg at 25 °C
Structure of Nitroiminodiethylenediisocyanic acid (CAS NO.7046-61-9):
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IUPAC Name: N,N-Bis(2-isocyanatoethyl)nitramide
Canonical SMILES: C(CN(CCN=C=O)[N+](=O)[O-])N=C=O
InChI: InChI=1S/C6H8N4O4/c11-5-7-1-3-9(10(13)14)4-2-8-6-12/h1-4H2
InChIKey: PMZAXZNFRDOMGE-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#05191 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. A sensitizer. When heated to decomposition Nitroiminodiethylenediisocyanic acid (CAS NO.7046-61-9) emits toxic fumes of NOx.
Standards and Recommendations
NIOSH REL: (Diisocyanates) TWA 0.005 ppm; CL 0.02 ppm/10M
Specification
Nitroiminodiethylenediisocyanic acid , its cas register number is 7046-61-9. It also can be called Isocyanic acid, (nitroimino)diethylene ester ; Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- ; and 3-Nitro-3-azapentane-1,5-diisocyanate .