-
Name
3-(acetyloxy)-N,N,N-trimethylanilinium iodide
- EINECS
- CAS No. 17427-00-8
- Density g/cm3
- Solubility
- Melting Point
- Formula C11H16NO2•I
- Boiling Point °Cat760mmHg
- Molecular Weight 321.18
- Flash Point °C
- Transport Information
- Appearance
- Safety A poison via subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and I−.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
3-Acetoxyphenyltrimethylammonium iodide Chemical Properties
Molecule structure of 3-Acetoxyphenyltrimethylammonium iodide (CAS NO.17427-00-8) :
IUPAC Name: (3-acetyloxyphenyl)-trimethylazanium iodide
Molecular Weight: 321.15471 g/mol
Molecular Formula: C11H16INO2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 321.022572
MonoIsotopic Mass: 321.022572
Topological Polar Surface Area: 26.3
Heavy Atom Count: 15
Complexity 208
Canonical SMILES: CC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[I-]
InChI: InChI=1S/C11H16NO2.HI/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4;/h5-8H,1-4H3;1H/q+1;/p-1
InChIKey: TXBGGFAHWDCORU-UHFFFAOYSA-M
3-Acetoxyphenyltrimethylammonium iodide Toxicity Data With Reference
| 1. | orl-mus LD50:800 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),16. | ||
| 2. | scu-mus LD50:125 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),16. | ||
| 3. | ivn-mus LD50:3700 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),16. |
3-Acetoxyphenyltrimethylammonium iodide Safety Profile
A poison via subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and I−.
3-Acetoxyphenyltrimethylammonium iodide Specification
3-Acetoxyphenyltrimethylammonium iodide (CAS NO.17427-00-8) is also called (m-Hydroxyphenyl)trimethylammonium iodide, acetate ; Ro 2-2017 ; Ammonium, (3-acetoxyphenyl)trimethyl-, iodide ; Ammonium, (m-hydroxyphenyl)trimethyl-, iodide, acetate (8CI) ; Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (9CI) . 3-Acetoxyphenyltrimethylammonium iodide (CAS NO.17427-00-8) is high toxic. It is flammable. It will produce toxic nitrogen oxide and iodide smoke by heat. So the storage environment should be ventilate, low-temperature and dry.
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