-
Name
PYRIDINIUM, 3,3′-(TEREPHTHALOYL-BIS-(IMINO(3-CHLORO-p-PHENYLENE CARBON-YLIMINO))BIS(1-METHYL-DI-p-TOLUENE SULFONATE)
- EINECS
- CAS No. 19142-71-3
- Density g/cm3
- Solubility
- Melting Point
- Formula C34H28Cl2N6O4•2C7H7O3S
- Boiling Point °Cat760mmHg
- Molecular Weight 997.98
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate Chemical Properties
Molecule structure of Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS NO.19142-71-3):
.gif)
IUPAC Name: 1-N,4-N-Bis[2-chloro-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 997.91728 g/mol
Molecular Formula: C48H42Cl2N6O10S2
H-Bond Donor: 4
H-Bond Acceptor: 10
Rotatable Bond Count: 8
Tautomer Count: 28
Exact Mass: 996.178088
MonoIsotopic Mass: 996.178088
Topological Polar Surface Area: 239
Heavy Atom Count: 68
Complexity: 1190
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)Cl)Cl
InChI: InChI=1S/C34H26Cl2N6O4.2C7H8O3S/c1-41-15-3-5-25(19-41)37-33(45)23-11-13-29(27(35)17-23)39-31(43)21-7-9-22(10-8-21)32(44)40-30-14-12-24(18-28(30)36)34(46)38-26-6-4-16-42(2)20-26;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-20H,1-2H3,(H2-2,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS NO.19142-71-3): KPWPTHQHLIBRLH-UHFFFAOYSA-N
Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate Toxicity Data With Reference
| 1. | dnd-mus:lym 1400 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:26 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Pyridinium, 3,3'-(terephthaloylbis(imino(3-chloro-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and SOx.
Related Products
- Pyridinium, 1-methyl-4-(p-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)cinnamamido)anilino)-, di-p-toluenesulfonate
- Pyridinium, 1-propyl-3-(p-(p-((p-((1-propylpyridinum-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate
- Pyridinium, 1-propyl-3-(p-(p-((p-(1-propylpyridinium-3-yl)phenyl)carbamoyl)cinnamamido)phenyl)-, di-p-toluenesulfonate
- Pyridinium, 3-(aminocarbonyl)-1,4-dimethyl-, chloride (1:1)
- Pyridinium, 3-(aminocarbonyl)-1-methyl-,chloride (1:1)
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methylterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methylterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
- 1914-58-5
- 1914-60-9
- 19146-51-1
- 19146-52-2
- 1914-65-4
- 19146-55-5
- 19147-00-3
- 19147-16-1
- 19147-35-4
- 191476-32-1
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View