Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) supplier

Name
methanaminium, (1-methyl-2(1H)-pyridinylidene)-N-oxo-, trichloride, (E)- (1,3-propanediyldi-1-pyridinyl-4-ylidene)bis[N-oxomethanaminium]
EINECS
CAS No. 74203-42-2
Density g/cm³
Solubility
Melting Point
Formula C₂₂H₂₇Cl₃N₆O₃
Boiling Point 412.9°Cat760mmHg
Molecular Weight 529.8472
Flash Point 203.5°C
Transport Information
Appearance
Safety Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Chemical Properties

Molecule structure of Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) (CAS NO.74203-42-2):

IUPAC Name: [(E)-(1-Methylpyridin-2-ylidene)methyl]-oxoazanium; oxo-[[1-[3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium; trichloride
Molecular Weight: 529.84718 g/mol
Molecular Formula: C₂₂H₂₇Cl₃N₆O₃
Boiling Point: 412.9 °C at 760 mmHg
Flash Point: 203.5 °C
Enthalpy of Vaporization: 66.56 kJ/mol
Vapour Pressure: 5.01E-07 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Tautomer Count: 6
Exact Mass: 528.121022
MonoIsotopic Mass: 528.121022
Topological Polar Surface Area: 103
Heavy Atom Count: 34
Complexity: 704
Canonical SMILES: CN1C=CC=CC1=C[NH+]=O.C1=CN(C=CC1=C[NH+]=O)CCCN2C=CC(=C[NH+]=O)C=C2.Cl-].[Cl-].[Cl-]
Isomeric SMILES: CN\1C=CC=C/C1=C\[NH+]=O.C1=CN(C=CC1=C[NH+]=O)CCCN2C=CC(=C[NH+]=O)C=C2.Cl-].[Cl-].[Cl-]
InChI: InChI=1S/C15H16N4O2.C7H8N2O.3ClH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;1-9-5-3-2-4-7(9)6-8-10;;;/h2-5,8-13H,1,6-7H2;2-6H,1H3;3*1H/b;7-6+;;;
InChIKey of Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) (CAS NO.74203-42-2): BGMMHHICJOUGNP-ZXHLIGHSSA-N

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Toxicity Data With Reference

1.		ivn-mus LD50:61 mg/kg		JPETAB Journal of Pharmacology and Experimental Therapeutics. 132 (1961),50.
2.		ivn-rbt LD50:61 mg/kg		JPETAB Journal of Pharmacology and Experimental Therapeutics. 132 (1961),50.

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Safety Profile

Poison by intravenous route. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.

Product Name

methanaminium, (1-methyl-2(1H)-pyridinylidene)-N-oxo-, trichloride, (E)- (1,3-propanediyldi-1-pyridinyl-4-ylidene)bis[N-oxomethanaminium]

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Chemical Properties

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Toxicity Data With Reference

Pyridinium, 2-formyl-1-methyl-, chloride, oxime mixed with 1,1'-trimethylenebis(4-formylpyridinium), dichloride, dioxime (1:1) Safety Profile

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