2650-50-2

Basic information

• Product Name: trimethylpropylammonium bromide
• Synonyms: trimethylpropylammonium bromide;Propyltrimethylaminium·bromide
• CAS NO: 2650-50-2
• Molecular Formula: Br*C₆H₁₆N
• Molecular Weight: 182.10194
• EINECS: 220-172-2
• Mol File: 2650-50-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 238°C(dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: Soluble in water
• CAS DataBase Reference: trimethylpropylammonium bromide(CAS DataBase Reference)
• NIST Chemistry Reference: trimethylpropylammonium bromide(2650-50-2)
• EPA Substance Registry System: trimethylpropylammonium bromide(2650-50-2)

Safety Data

• Hazardous Substances Data: 2650-50-2(Hazardous Substances Data)

Usage

General Description

Trimethylpropylammonium bromide is a quaternary ammonium compound used as a surfactant, disinfectant, and antistatic agent in various industries. It is commonly used in household and industrial cleaning products, as well as in personal care products such as shampoos and conditioners. The chemical structure of trimethylpropylammonium bromide allows it to be effective at removing dirt and grease, as well as inhibiting the growth of bacteria and fungi. It is also used as a phase transfer catalyst in organic synthesis and as a corrosion inhibitor in metalworking fluids. However, it is important to handle trimethylpropylammonium bromide with caution, as it can be irritating to the skin and eyes, and can cause respiratory irritation if inhaled.

InChI:InChI=1/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

Upstream product

• 7732-18-5 water 
• 6340-39-2 (2,3-dibromo-propyl)-trimethyl-ammonium; bromide 
• 106-94-5 propyl bromide 
• 75-50-3 trimethylamine 

Downstream Products

• 187737-37-7 propene 
• 926-63-6 N,N-dimethylaminopropane 
• 37755-10-5 N,N,N-trimethyl-N-propylammonium hydroxide 

Relevant articles and documents

Spectroscopic evidence for an intramolecular C-H···N hydrogen bond: Infrared and Raman spectroscopy and ab initio molecular orbital calculations of N,N-dimethylpropylamine and propyltrimethylammonium bromide

The infrared and Raman spectra were measured for N,N-dimethylpropylamine (DPA) in an argon matrix, the liquid and glassy states and aqueous solution, and for propyltrimethylammonium bromide (PTAB) in the solid state and aqueous solution. The ab initio molecular orbital calculations were performed on possible conformers of DPA and propyltrimethylammonium ion. In an argon matrix, the conformational stability of DPA is in the order G'G > GT > TT, which agrees with the prediction by ab initio calculations. The experimentally confirmed high stability of the G'G conformer indicates that an appreciably strong attractive interaction occurs between the methyl hydrogen atom and the nitrogen atom. This interaction may be called the intramolecular 1,4-C-H···N hydrogen bonding. In the liquid and glassy states, the GT conformer is the most stable. In aqueous solution of DPA, the GT and TT conformers are more stabilized than in the neat liquid, possibly because of the formation of more significant intermolecular hydrogen bonds between the nitrogen atom of DPA and water molecules. For PTAB, only the T conformer exists in the solid state, and this conformer is more stable than the G conformer in aqueous solution. The GG and TG conformers of DPA and the G conformer of PTAB are significantly less stabilized by steric repulsions between the CH3(N) and (C)CH3 groups.

Solubilization of some Tetramethylammonium Salts and of Ethyltrimethylammonium Bromide by their Homologues in Chloroform

The solubilities of tetramethylammonium chloride, bromide, thiocyanate and perchlorate and of ethyltrimethylammonium bromide in chloroform at 25 +/- 0.2 deg C have been determined.The solubilities of these salts increase markedly in the presence of a variety of higher homologues of common co-ions.It is suggested that this phenomenon involves the cooperative formation of reversed micelles.