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| CAS No.: | 1119-94-4 |
|---|---|
| Name: | Dodecyl trimethyl ammonium bromide |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H34NBr |
| Molecular Weight: | 308.346 |
| Synonyms: | N-Lauryl-N,N,N-trimethylammoniumbromide;Trimethyldodecylammonium bromide;Trimethyllaurylammonium bromide;n-Dodecyltrimethylammonium bromide;1-Dodecanaminium,N,N,N-trimethyl-, bromide (9CI);Ammonium, dodecyltrimethyl-, bromide (8CI);DDTMA;DTAB;DTAB (surfactant);Dctab;FSM 23;LTAB;Lauryltrimethylammonium bromide;Morpan D;N,N,N-Trimethyl-1-dodecanaminium bromide;N,N,N-Trimethyldodecan-1-ammoniumbromide;N-Dodecyl-N,N,N-trimethylammonium bromide; |
| EINECS: | 214-290-3 |
| Density: | 1.1566 (rough estimate) |
| Melting Point: | 246 °C |
| Flash Point: | 246 °C |
| Solubility: | 0.1 M at 20 °C in water |
| Appearance: | white to slightly yellow powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 3077 |
| PSA: | 0.00000 |
| LogP: | 1.61750 |
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Consensus Reports
Specification
The IUPAC name of Dodecyl trimethyl ammonium bromide is dodecyl(trimethyl)azanium bromide. With the CAS registry number 1119-94-4, it is also named as 1-Dodecanaminium, N,N,N-trimethyl-, bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds; Ion-pair Reagents, and the other registry number is 157929-06-1. Besides, it is white to slightly yellow powder, which should be stored in closed container in a cool, dry place. In addition, its molecular formula is C15H34NBr and molecular weight is 308.34.
The other characteristics of this product can be summarized as: (1)H-Bond Acceptor: 1; (2)Rotatable Bond Count: 11; (3)Exact Mass: 307.187463; (4)MonoIsotopic Mass: 307.187463; (5)Topological Polar Surface Area: 0; (6)Heavy Atom Count: 17; (7)Complexity: 135; (8)EINECS: 214-290-3; (9)Melting point: 246 °C; (10)Flash Point: 246 °C; (11)Water Solubility: 0.1 M at 20 °C.
Uses of Dodecyl trimethyl ammonium bromide: this chemical is used as emulsifier of rubber and asphalt. It is also used for disinfection of silkworm rearing room. Additionally, it can be used as anti-static agent of synthetic fibre, oil-field flooding fungicide, and surfactant. Similarly, it can be used to produce Dodecyltrimethylammonium bromite.
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This reaction needs Potassium bromide and H2O at temperature of 40-50 °C by electrolysis. 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. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
(2)InChI: InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: XJWSAJYUBXQQDR-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 5200ug/kg (5.2mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980. |
| rabbit | LDLo | skin | 800mg/kg (800mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0545456, |
| rat | LD50 | intravenous | 6800ug/kg (6.8mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980. |