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| CAS No.: | 38932-80-8 |
|---|---|
| Name: | Tetrabutylammonium tribromide |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C16H36Br3N |
| Molecular Weight: | 482.181 |
| Synonyms: | trimethyl-phenyl-azanium;Tetrabutyl ammonium tribromide;tetrabutylammonium tribromide; tbabr3;1-Butanaminium,N,N,N-tributyl-,(tribromide); |
| EINECS: | 216-699-2 |
| Density: | 1.5469 (rough estimate) |
| Melting Point: | 71-76 °C(lit.) |
| Solubility: | insoluble in water |
| Appearance: | orange crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 3261 |
| PSA: | 0.00000 |
| LogP: | 3.69880 |
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Specification
With the CAS registry number 38932-80-8, Tetrabutylammonium tribromide is also named as 1-Butanaminium,N,N,N-tributyl-,(tribromide). The product's categories are Ammonium Polyhalides, etc. (Quaternary); Bromination; Halogenation; Quaternary Ammonium Compounds; Synthetic Organic Chemistry. Besides, it is orange crystalline powder, which should be stored in closed, cool and dry place. In addition, its molecular formula is C16H36Br3N and molecular weight is 482.18.
The other characteristics of Tetrabutylammonium tribromide can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 12; (4)Exact Mass: 481.037741; (5)MonoIsotopic Mass: 479.039788; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 20; (8)Complexity: 116; (9)Melting point: 71-75 °C.
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, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: Br[Br-]Br.CCCC[N+](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C16H36N.Br3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1
(3)InChIKey: XXSLZJZUSYNITM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H36N.Br3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-2/h5-16H2,1-4H3;/q+1;-1
(5)Std. InChIKey: XXSLZJZUSYNITM-UHFFFAOYSA-N