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Tetrabutylammonium tribromide

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Name

Tetrabutylammonium tribromide

EINECS 216-699-2
CAS No. 38932-80-8 Density
Solubility insoluble in water Melting Point 71-76 °C(lit.)
Formula C16H36Br3N Boiling Point
Molecular Weight 482.18 Flash Point
Transport Information UN 3261 Appearance orange crystalline powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 38932-80-8 (Tetrabutylammonium tribromide) Hazard Symbols IrritantXi
Synonyms

trimethyl-phenyl-azanium;Tetrabutyl ammonium tribromide;tetrabutylammonium tribromide; tbabr3;1-Butanaminium,N,N,N-tributyl-,(tribromide);

 

Tetrabutylammonium tribromide 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

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