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| Name |
HS 3 |
EINECS | N/A |
| CAS No. | 25487-36-9 | Density | g/cm3 |
| PSA | 77.95000 | LogP | 3.09640 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H16 N4 O3 . 2 Cl | Boiling Point | 403.3°Cat760mmHg |
| Molecular Weight | 359.212 | Flash Point | 197.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intramuscular, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyridinium,2,4'-diformyl-1,1'-(oxydimethylene)di-, dichloride, dioxime (8CI); Pyridinium,2-[(hydroxyimino)methyl]-1-[[[4-[(hydroxyimino)methyl]pyridinio]methoxy]methyl]-,dichloride (9CI); 2-(Hydroxyiminomethyl)-1-pyridiniummethyl4-hydroxyiminomethyl-1-pyridiniummethyl ether dichloride; HS 3; HS 3(pharmaceutical) |
HS 3 Chemical Properties
Empirical Formula of HS 3 (CAS NO.25487-36-9): C14H16Cl2N4O3
Molecular Weight: 359.2078 g/mol
Flash Point: 197.7 °C
Enthalpy of Vaporization: 65.46 kJ/mol
Boiling Point: 403.3 °C at 760 mmHg
Vapour Pressure: 1.03E-06 mmHg at 25 °C
Structure of HS 3 (CAS NO.25487-36-9):
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IUPAC Name: Oxo-[[1-[[(2E)-2-(oxoazaniumylmethylidene)pyridin-1-yl]methoxymethyl]pyridin-4-ylidene]methyl]azanium dichloride
Canonical SMILES: C1=CC(=C[NH+]=O)N(C=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]
Isomeric SMILES: C1=C/C(=C\[NH+]=O)/N(C=C1)COCN2C=CC(=C[NH+]=O)C=C2.[Cl-].[Cl-]
InChI: InChI=1S/C14H14N4O3.2ClH/c19-15-9-13-4-7-17(8-5-13)11-21-12-18-6-2-1-3-14(18)10-16-20;;/h1-10H,11-12H2;2*1H/b14-10+;;
InChIKey: WAGVRRUYYSDCCC-YZEJZXAXSA-N
Classification Code: Reproductive Effect
HS 3 Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 100mg/kg (100mg/kg) | Archiv fuer Toxikologie. Vol. 26, Pg. 293, 1970. | |
| mouse | LD50 | intraperitoneal | 97mg/kg (97mg/kg) | Archives of Toxicology. Vol. 42, Pg. 207, 1979. | |
| rat | LD50 | intraperitoneal | 149mg/kg (149mg/kg) | Archives of Toxicology. Vol. 41, Pg. 301, 1979. | |
| rat | LD50 | intravenous | 168mg/kg (168mg/kg) | Archives of Toxicology. Vol. 41, Pg. 301, 1979. |
HS 3 Safety Profile
Poison by intramuscular, intravenous, and intraperitoneal routes. When heated to decomposition HS 3 (CAS NO.25487-36-9) emits toxic fumes of Cl− and NOx.
HS 3 Specification
HS 3 , its cas register number is 25487-36-9. It also can be called Pyridinium, 2,4'-diformyl-1,1'-(oxydimethylene)di-, dichloride, dioxime ; 2-((Hydroxyimino)methyl)-1-(((4-((hydroxyimino)methyl)pyridinio)methoxy)methyl)pyridinium dichloride ; and 2,4'-Diformyl-1,1'-(oxydimethylene)dipyridinium dichloride dioxime .
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