(4-Nitrobenzyl)trimethylammonium chloride

Base Information

• Chemical Name: (4-Nitrobenzyl)trimethylammonium chloride
• CAS No.: 5350-96-9
• Molecular Formula: C10H15 N2 O2 . Cl
• Molecular Weight: 230.694
• European Community (EC) Number: 633-400-4
• DSSTox Substance ID: DTXSID00583505
• NSC Number: 85
• Mol file: 5350-96-9.mol

Synonyms:(4-Nitrobenzyl)trimethylammonium chloride;5350-96-9;trimethyl-[(4-nitrophenyl)methyl]azanium;chloride;trimethyl-[(4-nitrophenyl)methyl]ammonium chloride;N,N,N-Trimethyl-1-(4-nitrophenyl)methanaminium chloride;NSC85;NSC-85;SCHEMBL2438243;DTXSID00583505;p-Nitrobenzyltrimethylammoniumchlorid;AKOS015888868;TRIMETHYL(P-NITROBENZYL)AMMONIUM CHLORIDE;A829636;N,N,N-Trimethyl(4-nitrophenyl)methanaminium chloride

Chemical Property of (4-Nitrobenzyl)trimethylammonium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 45.82000
• Density: g/cm³
• LogP: -0.67180
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.0822054
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

(4-NITROBENZYL)TRIMETHYLAMMONIUM CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

Technology Process of (4-Nitrobenzyl)trimethylammonium chloride

There total 3 articles about (4-Nitrobenzyl)trimethylammonium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4-nitrobenzyl chloride (100-14-1) + trimethylamine (75-50-3) → 4-nitro-N,N,N-trimethylbenzenemethanaminium chloride (5350-96-9)

Guidance literature:

In methanol; water; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85359-X

Reference yield:

1-bromomethyl-4-nitro-benzene (100-11-8) → 4-nitro-N,N,N-trimethylbenzenemethanaminium chloride (5350-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 12 h / 50 °C

2: Dowex 22 chloride form / acetonitrile

With Dowex 22 chloride form; In acetonitrile;

DOI:10.1021/acs.joc.8b03197

Reference yield:

C10H15N2O2(1+)*Br(1-) (19824-21-6) → 4-nitro-N,N,N-trimethylbenzenemethanaminium chloride (5350-96-9)

Guidance literature:

With Dowex 22 chloride form; In acetonitrile;

DOI:10.1021/acs.joc.8b03197

upstream raw materials:

4-nitrobenzyl chloride

trimethylamine

1-bromomethyl-4-nitro-benzene

C₁₀H₁₅N₂O₂⁽¹⁺⁾*Br^(1-)

Downstream raw materials:

trans-2-(4-nitrophenyl)-3-phenyloxirane

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