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| CAS No.: | 87-76-3 |
|---|---|
| Name: | N,N,N-trimethylhexadecan-1-aminium pentachlorophenolate |
| Molecular Structure: | |
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| Formula: | C19H42N•C6HCl5O |
| Molecular Weight: | 550.94 |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of Cl−, NH3, and NOx. See also CHLOROPHENOLS. |
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Chemistry
IUPAC Name: Hexadecyl(trimethyl)azanium; 2,3,4,5,6-pentachlorophenolate
Synonyms of Trimethylcetylammonium penta-chlorophenate (CAS NO.87-76-3) : Hexadecyltrimethylammonium pentachlorophenol ; Trimethylcetylammonium pentachlorophenate ; 1-Hexadecanaminium, N,N,N-trimethyl-, salt with pentachlorophenol (1:1) (9CI) ; Ammonium, hexadecyltrimethyl-, pentachlorophenol ; N,N,N-Trimethyl-1-hexadecanaminium salt with pentachlorophenol (1:1)
InChI: InChI=1/C19H42N.C6HCl5O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h5-19H2,1-4H3;12H/q+1;/p-1
CAS NO:87-76-3
Molecular Formula:C25H42Cl5NO
Molecular Weight :549.8721
Molecular Structure :.png)
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 21mg/kg (21mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. | |
| mouse | LD50 | oral | 594mg/kg (594mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. | |
| mouse | LD50 | subcutaneous | 800mg/kg (800mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. | |
| rat | LD50 | intraperitoneal | 58mg/kg (58mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. | |
| rat | LD50 | oral | 790mg/kg (790mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. | |
| rat | LD50 | subcutaneous | 4130mg/kg (4130mg/kg) | Drugs in Japan Vol. 6, Pg. 529, 1982. |
Consensus Reports
Chlorophenol compounds are on the Community Right-To-Know List.
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When Trimethylcetylammonium penta-chlorophenate (CAS NO.87-76-3) is heated to decomposition ,it emits toxic fumes of Cl−, NH3, and NOx. See also CHLOROPHENOLS.