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| Name |
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide |
EINECS | N/A |
| CAS No. | 77967-05-6 | Density | N/A |
| PSA | 74.60000 | LogP | -3.58260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H38 N2 O4 . 2 Br | Boiling Point | N/A |
| Molecular Weight | 602.48 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
[1,1'-Biphenyl]-4,4'-dipropanaminium,N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethyl-g,g'-dioxo-, dibromide (9CI) |
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide Chemical Properties
Molecular Structure of 4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide (CAS NO. 77967-05-6):
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IUPAC Name: 2-hydroxyethyl-[3-[4-[4-[3-[2-hydroxyethyl(dimethyl)azaniumyl]-3-oxopropyl]phenyl]phenyl]propanoyl]-dimethylazanium dibromide
Empirical Formula: C26H38Br2N2O4
Molecular Weight: 602.3989
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 15
Polar Surface Area: 52.6 Å2
InChI
InChI=1/C26H38N2O4.2BrH/c1-27(2,17-19-29)25(31)15-9-21-5-11-23(12-6-21)24-13-7-22(8-14-24)10-16-26(32)28(3,4)18-20-30;;/h5-8,11-14,29-30H,9-10,15-20H2,1-4H3;2*1H/q+2;;/p-2
Smiles
c1(c2ccc(CCC([N+](CCO)(C)C)=O)cc2)ccc(CCC([N+](CCO)(C)C)=O)cc1.[BrH-].[BrH-]
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide Toxicity Data With Reference
| 1. | ipr-mus LD50:10 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127. | ||
| 2. | ipr-rbt LD50:20 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 115 (1955),127. |
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide Consensus Reports
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide (CAS NO. 77967-05-6) was reported in JPETAB Journal of Pharmacology and Experimental Therapeutics.
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide Safety Profile
Poison by intraperitoneal route. See also BROMIDES. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−.
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide Specification
4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide , with CAS number of 77967-05-6, can be called Ammonium, 4,4'-biphenylenebis(3-oxopropylene)bis(dimethyl(2-hydroxyethyl)-, dibromide . 4,4′-Biphenylenebis(3-oxopropylene) bis(dimethyl(2-hydroxyethyl)-ammonium) dibromide (CAS NO. 77967-05-6) is a high toxic substance,with flammability, burning will produce toxic fumes of toxic nitrogen oxides, ammonia and bromide fumes,so it should be stored in cool and dry environment,separate from food and materials.Dry powder,foam,sand, carbon dioxide,water mist can be used if something urgent happened.
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