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Name |
Benzyltriethylammonium hydroxide |
EINECS | 217-402-9 |
CAS No. | 1836-42-6 | Density | 0.92 g/cm3 |
PSA | 23.06000 | LogP | 2.88630 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H22N.OH | Boiling Point | N/A |
Molecular Weight | 209.332 | Flash Point | 26 °C |
Transport Information | 2924 | Appearance | N/A |
Safety | 16-26-36/37/39-45 | Risk Codes | 10-23/25-34 |
Molecular Structure | Hazard Symbols | R10:Flammable.; R23/25:Toxic by inhalation and if swallowed.; R34:Causes burns.; | |
Synonyms |
Ammonium,benzyltriethyl-, hydroxide (8CI);Benzenemethanaminium, N,N,N-triethyl-,hydroxide (9CI);Benzyltriethylammonium hydroxide (6CI,7CI);Triethylbenzylammonium hydroxide; |
Article Data | 2 |
The cas register number of Benzyltriethylammonium hydroxide is 1836-42-6. It also can be called as Ammonium, triethylbenzyl-, hydroxide and the IUPAC Name about this chemical is benzyl(triethyl)azanium hydroxide. It belongs to the following product categories, such as Ammonium Hydroxides (Quaternary), Quaternary Ammonium Compounds and so on.
Physical properties about Benzyltriethylammonium hydroxide are: (1)ACD/LogP: -2.08; (2)ACD/LogD (pH 5.5): -2.08; (3)ACD/LogD (pH 7.4): -2.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.76; (7)ACD/KOC (pH 7.4): 1.76; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5.
Preparation: this chemical can be prepared by triethyl-benzyl-ammonium; chloride. This reaction will need reagent benzyl alcohol, 50percent aq. NaOH. The reaction time is 1 hour(s) with reaction temperature of 20 - 25 ℃. The yield is about 80%.
Uses of Benzyltriethylammonium hydroxide: it can be used to produce 6-Iodo-9H-purin-2-amine ion(1-) triethyl(phenylmethyl)ammonium salt with 2-amino-6-iodopurine. This reaction will need solvent methanol, ethanol with reaction time of 2 hours. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and if swallowed and it is flammable, it also can causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [OH-].c1ccccc1C[N+](CC)(CC)CC
(2)InChI: InChI=1/C13H22N.H2O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H2/q+1;/p-1
(3)InChIKey: FKPSBYZGRQJIMO-REWHXWOFAJ
(4)Std. InChI: InChI=1S/C13H22N.H2O/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H2/q+1;/p-1
(5)Std. InChIKey: FKPSBYZGRQJIMO-UHFFFAOYSA-M
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | subcutaneous | 160mg/kg (160mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 28, Pg. 367, 1926. |