-
Name
3-Picolinium, 1,1'-(p,p'-biphenylylenebis(carbonylmethyl))di-, dibromide
- EINECS
- CAS No. 15172-86-8
- Density g/cm3
- Solubility
- Melting Point
- Formula C28H26 N2 O2 . 2 Br
- Boiling Point °Cat760mmHg
- Molecular Weight 582.335
- Flash Point °C
- Transport Information
- Appearance
- Safety Deadly poison by intraperitoneal and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Picolinium,1,1'-[4,4'-biphenylylenebis(2-oxoethylene)]di-, dibromide (8CI)
- PSA 41.90000
- LogP 1.31520
4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide Chemical Properties
Molecular Structure of 4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide (CAS NO. 15172-86-8):
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IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(3-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone dibromide
Empirical Formula: C28H26Br2N2O2
Molecular Weight: 582.3262
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 41.9 Å2
InChI
InChI=1/C28H26N2O2.2BrH/c1-21-5-3-15-29(17-21)19-27(31)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(32)20-30-16-4-6-22(2)18-30;;/h3-18H,19-20H2,1-2H3;2*1H/q+2;;/p-2
Smiles
[n+]1(CC(c2ccc(cc2)c2ccc(C(C[n+]3cc(C)ccc3)=O)cc2)=O)cc(C)ccc1.[BrH-].[BrH-]
Classification Code: Drug / Therapeutic Agent
4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 50ug/kg (0.05mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 79, 1954. |
| mouse | LD50 | intravenous | 69ug/kg (0.069mg/kg) | Toxicology and Applied Pharmacology. Vol. 27, Pg. 666, 1974. |
4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide Safety Profile
Deadly poison by intraperitoneal and intravenous routes. See also BROMIDES. When heated to decomposition it emits very toxic fumes of Br− and NOx.
4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide Specification
4,4′-Bisacetophenone-α,α′-di(3-methyl pyridinium) dibromide ,its CAS number is 15172-86-8,it can be called 1,1'-(4,4'-Biphenylenebis(2-oxoethylene))bis(3-methylpyridinium) dibromide ; 3-Picolinium, 1,1'-(4,4'-biphenylylenebis(2-oxoethylene))di-, dibromide ; Pyridinium, 1,1'-(4,4'-biphenylenebis(2-oxoethylene))bis(3-methyl-, dibromide and so on.
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