-
Name
6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate
- EINECS
- CAS No. 18355-50-5
- Density g/cm3
- Solubility
- Melting Point
- Formula C36H32N4O2•2C7H7O3S
- Boiling Point °Cat760mmHg
- Molecular Weight 895.12
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. See also SULFONATES. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 6,6’-(p,p’-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate
- PSA 194.22000
- LogP 11.43000
6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate Chemical Properties
IUPAC Name: N-(1-Ethylquinolin-1-ium-6-yl)-4-[4-[(1-ethylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonate
Synonyms of 6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate (CAS NO.18355-50-5 ): Quinolinium, 6,6'-(4,4'-biphenylenebis(carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate ) ; Quinolinium, 6,6'-((1,1'-biphenyl)-4,4'-diylbis(carbonylimino))bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2) ; Quinolinium, 6,6'-(p,p'-biphenylylenebis(carbonylimino))bis(1-ethyl-, ditosylate)
CAS NO: 18355-50-5
Molecular Formula: C50H46N4O8S2
Molecular Weight: 895.0522
Molecular Structure : .png)
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 48.38 Å2
InChI: InChI=1/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-29-23-31(17-19-33(29)39)37-35(41)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36(42)38-32-18-20-34-30(24-32)8-6-22-40(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)
InChIKey: JENUUMUEYUTBEW-UHFFFAOYAP
Std. InChI: InChI=1S/C36H30N4O2.2C7H8O3S/c1-3-39-21-5-7-29-23-31(17-19-33(29)39)37-35(41)27-13-9-25(10-14-27)26-11-15-28(16-12-26)36(42)38-32-18-20-34-30(24-32)8-6-22-40(34)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-24H,3-4H2,1-2H3;2*2-5H,1H3,(H,8,9,10)
Std. InChIKey: JENUUMUEYUTBEW-UHFFFAOYSA-N
6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD10 | intraperitoneal | 31mg/kg (31mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979. |
6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate Safety Profile
Poison by intraperitoneal route. See also SULFONATES. Mutation data reported. When 6,6'-(p,p'-Biphenylylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate (CAS NO.18355-50-5 ) is heated to decomposition ,it emits very toxic fumes of NOx and SOx.
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