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| CAS No.: | 1120-02-1 |
|---|---|
| Name: | Octadecy trimethyl ammonium bromide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C21H46N.Br |
| Molecular Weight: | 392.507 |
| Synonyms: | 1-Octadecanaminium,N,N,N-trimethyl-, bromide (9CI);Ammonium, trimethyloctadecyl-, bromide (8CI);Trimethyloctadecylammonium bromide (6CI,7CI);Catinal STB;Catinal STB 70;Eveite B 18;Morpan O;N,N,N-Trimethyl-1-octadecanaminium bromide;N,N,N-Trimethyloctadecan-1-ammonium bromide;OTAB;OTMA;Octadecyltrimethylammonium bromide;STAB;Softex;Stearyltrimethylammoniumbromide;Stearyltrimonium bromide;Trimethylstearylammonium bromide;Vulnoc OB;Zeonet B;Zeonet BF;n-Octadecyltrimethylammonium bromide; |
| EINECS: | 214-294-5 |
| Melting Point: | 250 °C |
| Boiling Point: | 543.31℃[at 101 325 Pa] |
| Solubility: | Soluble in water |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.95810 |
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Specification
The IUPAC name of Octadecy trimethyl ammonium bromide is trimethyl(octadecyl)azanium bromide. With the CAS registry number 1120-02-1, it is also named as 1-Octadecanaminium, N,N,N-trimethyl-, bromide. The product's categories are Aliphatics; Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds. Besides, it is white powder, which should be stored in closed containers in a cool, dry place. It is stable, but incompatible with strong oxidizing agents. In addition, its molecular formula is C21H46N.Br and molecular weight is 392.50.
The other characteristics of this product can be summarized as: (1)EINECS: 214-294-5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 17; (5)Exact Mass: 391.281363; (6)MonoIsotopic Mass: 391.281363; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 23; (9)Complexity: 204; (10)Melting Point: 250 °C; (11)Freezing Point: 32 °C.
Preparation of Octadecy trimethyl ammonium bromide: this chemical can be prepared by the reaction of Dimethyloctadecylamine with Methyl bromide。
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This reaction is catalyzed by alkali. It needs H2O and Isopropanol by heating to 120-150 °C for 2 hours.
Uses of Octadecy trimethyl ammonium bromide: this chemical is used as surfactant and fungicide. Moreover, it can be used to get Octadecyltrimethylammonium bromite.
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This reaction needs Potassium bromide and H2O by electrolysis at temperature of 40-50 °C. The yield is 100 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
(2)InChI: InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: SZEMGTQCPRNXEG-UHFFFAOYSA-M