2,4,5-Trifluorobenzylamine

Base Information

• Chemical Name: 2,4,5-Trifluorobenzylamine
• CAS No.: 168644-93-7
• Molecular Formula: C7H6F3N
• Molecular Weight: 161.12
• Hs Code.: 2921499090
• European Community (EC) Number: 671-906-7
• DSSTox Substance ID: DTXSID30380347
• Nikkaji Number: J673.252F
• Wikidata: Q72511000
• Mol file: 168644-93-7.mol

Synonyms:2,4,5-Trifluorobenzylamine;168644-93-7;2,4,5-trifluorobenzyl amine;(2,4,5-trifluorophenyl)methanamine;Benzenemethanamine, 2,4,5-trifluoro-;MFCD00236316;Benzenemethanamine,2,4,5-trifluoro-;1-(2,4,5-trifluorophenyl)methanamine;SCHEMBL620594;DTXSID30380347;BLJQJQNRXILVTA-UHFFFAOYSA-N;2,4,5-Trifluorobenzenemethanamine;CK2433;AKOS006227999;SB76356;AS-15004;SY062501;CS-0157323;FT-0659406;EN300-1850824

Chemical Property of 2,4,5-Trifluorobenzylamine

Chemical Property:

• Vapor Pressure: 1.08mmHg at 25°C
• Melting Point: 274-275℃
• Refractive Index: 1.48
• Boiling Point: 176.664 °C at 760 mmHg
• PKA: 8.32±0.10(Predicted)
• Flash Point: 69.586 °C
• PSA: 26.02000
• Density: 1.32 g/cm³
• LogP: 2.26290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.04523368
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,5-Trifluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)CN

Technology Process of 2,4,5-Trifluorobenzylamine

There total 1 articles about 2,4,5-Trifluorobenzylamine 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: 34.0%

2,4,5-trifluorobenzonitrile (98349-22-5) → (2,4,5-trifluorophenyl)methanamine (168644-93-7)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water;

DOI:10.1021/ol9905250

Reference yield: 87.0%

chloroacetyl chloride (79-04-9) + (2,4,5-trifluorophenyl)methanamine (168644-93-7) → 2-chloro-N-(2,4,5-trifluorobenzyl)acetamide

Guidance literature:

With triethylamine; In dichloromethane; at -2 - 20 ℃; Inert atmosphere;

DOI:10.1021/jm401032k

Reference yield: 11.0%

4-uulfamoyl-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester (154715-61-4) + (2,4,5-trifluorophenyl)methanamine (168644-93-7) → N-(4'-sulfamoylbenzoyl)-2,4,5-trifluorobenzylamine

Guidance literature:

With dipotassium hydrogenphosphate; In acetone; pH=8;

DOI:10.1021/ol9905250

upstream raw materials:

2,4,5-trifluorobenzonitrile

Downstream raw materials:

C₂₈H₂₄F₃N₃O₄

2,4,5-trifluorobenzonitrile

Refernces