Benzyltrimethylammonium bromide

• CAS: 5350-41-4
• Catalog Number: ACM5350414-1
• Category: Bromine Series
• Molecular Weight: 230.14
• Molecular Formula: C10H16BrN
• Synonyms: N,N,N-trimethyl-benzenemethanaminiubromide
• IUPAC Name: benzyl(trimethyl)azanium;bromide
• Canonical SMILES: C[N+](C)(C)CC1=CC=CC=C1.[Br-]
• InChI: InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
• InChI Key: UUZYBYIOAZTMGC-UHFFFAOYSA-M
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Storage: Store below +30°C.
• Active Content: 95%
• Chemical Formula: [BzM3N]Br
• Complexity: 107
• Covalently-Bonded Unit Count: 2
• EC Number: 226-320-2
• Exact Mass: 229.047g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 12
• Monoisotopic Mass: 229.047g/mol
• NSC Number: 24
• Physical State: White crystal or powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Benzyltrimethylammonium Bromide?

The molecular formula of Benzyltrimethylammonium Bromide is C10H16BrN.

What is the molecular weight of Benzyltrimethylammonium Bromide?

The molecular weight of Benzyltrimethylammonium Bromide is 230.14 g/mol.

What is the IUPAC name of Benzyltrimethylammonium Bromide?

The IUPAC name of Benzyltrimethylammonium Bromide is benzyl(trimethyl)azanium;bromide.

What is the InChI of Benzyltrimethylammonium Bromide?

The InChI of Benzyltrimethylammonium Bromide is InChI=1S/C10H16N.BrH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1.

What is the Canonical SMILES of Benzyltrimethylammonium Bromide?

The Canonical SMILES of Benzyltrimethylammonium Bromide is C[N+](C)(C)CC1=CC=CC=C1.[Br-].

What is the CAS number of Benzyltrimethylammonium Bromide?

The CAS number of Benzyltrimethylammonium Bromide is 5350-41-4.

What is the European Community (EC) number of Benzyltrimethylammonium Bromide?

The European Community (EC) number of Benzyltrimethylammonium Bromide is 226-320-2.

How many hydrogen bond donor counts does Benzyltrimethylammonium Bromide have?

Benzyltrimethylammonium Bromide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Benzyltrimethylammonium Bromide have?

Benzyltrimethylammonium Bromide has 1 hydrogen bond acceptor count.

What is the topological polar surface area of Benzyltrimethylammonium Bromide?

The topological polar surface area of Benzyltrimethylammonium Bromide is 0Ų.

Synthetic Use

Upstream Synthesis Route 1

• 100-39-0
• 75-50-3

• 5350-41-4

Reference: [1] Synlett, 2016, vol. 27, # 13, p. 1963 - 1968
[2] Journal of the American Chemical Society, 2015, vol. 137, # 27, p. 8730 - 8737
[3] Patent: KR2018/8481, 2018, A, . Location in patent: Paragraph 0290-0292
[4] B.Ph.P., 1907, vol. 9, p. 477

Upstream Synthesis Route 2

• 3459-92-5
• 2840-24-6

• 5350-41-4

Reference: [1] Advanced Synthesis and Catalysis, 2007, vol. 349, # 7, p. 1095 - 1101

Downstream Synthesis Route 1

• 119-64-2
• 5350-41-4

• 6134-56-1

Reference: [1] Patent: US2002/64681, 2002, A1,

Downstream Synthesis Route 2

• 67-56-1
• 5350-41-4

• 538-86-3
• 2840-24-6
• 103-29-7
• 108-88-3

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1980,p. 77 - 82
[2]Journal of the Chemical Society. Perkin transactions II,1980,p. 77 - 82

Downstream Synthesis Route 3

• 67-56-1
• 5350-41-4

• 538-86-3
• 6912-12-5
• 103-29-7
• 108-88-3

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1980,p. 77 - 82

Downstream Synthesis Route 4

• 67-56-1
• 5350-41-4

• 2840-24-6
• 103-29-7
• 108-88-3
• 100-51-6

Reference: [1]Journal of the Chemical Society. Perkin transactions II,1980,p. 77 - 82

* For details of the synthesis route, please refer to the original source to ensure accuracy.