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| Name |
Hexafluorenium bromide |
EINECS | N/A |
| CAS No. | 317-52-2 | Density | g/cm3 |
| PSA | 0.00000 | LogP | 2.24760 |
| Solubility | N/A | Melting Point |
188-189° |
| Formula | C36H42 N2 . 2 Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 662.551 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal, subcutaneous, and intravenous routes. Human systemic effects by intravenous route: nausea or vomiting, cholinesterase changes. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br−. See also BROMIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,6-Hexanediaminium,N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-, dibromide (9CI); Ammonium,hexamethylenebis[fluoren-9-yldimethyl-, dibromide (8CI);Hexamethylenebis[fluoren-9-yldimethylammonium bromide] (6CI,7CI); B 141;Hexafluorenium bromide; Hexafluorenium dibromide; Hexafluronium bromide;Hexamethylenebis(9-fluorenyldimethylammonium) dibromide;Hexamethylenebis[dimethyl-9-fluorenylammonium bromide]; Mylaxen |
Hexafluorenium bromide Chemical Properties
Product Name: Hexafluorenium bromide (CAS NO.317-52-2)
Molecular Formula: C36H42Br2N2
Molecular Weight: 662.54008g/mol
Mol File: 317-52-2.mol
EINECS: 206-265-0
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Hexafluorenium bromide (CAS NO.317-52-2):
IUPAC Name: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
Canonical SMILES: C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13C4C5=CC=CC=C5C6=CC=CC=C46.[Br-].[Br-]
InChI: InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKey: WDEFPRUEZRUYNW-UHFFFAOYSA-L
Hexafluorenium bromide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TDLo | intravenous | 400ug/kg (0.4mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | "Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85Vol. 1, Pg. E1, 1982. |
| mouse | LD50 | intravenous | 1760ug/kg (1.76mg/kg) | Biochemical Pharmacology. Vol. 2, Pg. 233, 1959. | |
| mouse | LD50 | oral | 280mg/kg (280mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 603, 1954. | |
| mouse | LD50 | subcutaneous | 240mg/kg (240mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 603, 1954. | |
| rabbit | LD50 | intravenous | 80ug/kg (0.08mg/kg) | Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 200, 1959. | |
| rat | LD50 | intraperitoneal | 20mg/kg (20mg/kg) | Compilation of LD50 Values of New Drugs. |
Hexafluorenium bromide Safety Profile
A poison by intraperitoneal, subcutaneous, and intravenous routes. Human systemic effects by intravenous route: nausea or vomiting, cholinesterase changes. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br−. See also BROMIDES.
Hexafluorenium bromide Specification
Hexafluorenium bromide , its CAS NO. is 317-52-2, the synonyms are 1,6-Bis(9 fluorenyldimethyl-ammonium)hexane bromide ; Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, bromide ; Bromure d'hexafluronium ; Bromuro de hexafluronio ; EINECS 206-265-0 ; Esafluronio bromuro ; Hexafluronii bromidum ; Hexamethylene bis(9-fluorenyldimethylammonium)dibromide ; Hexamethylenebis(9-fluorenyldimethylammonium bromide) ; Hexamethylenebis(dimethyl-9-fluorenylammonium bromide) ; Hexamethylenebis(fluoren-9-yldimethylammonium) dibromide ; IN-117 ; Milaxen ; N,N'-Di(9-fluorenyl)-N,N,N',N'-tetramethyly-hexamethylendi(ammoniumbromid) ; NSC-19477 ; UNII-B64NJG83K2 ; 1,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-, dibromide .
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