2-Chloro-N-ethyl-6-fluorobenzenemethanamine

Base Information

• Chemical Name: 2-Chloro-N-ethyl-6-fluorobenzenemethanamine
• CAS No.: 62924-59-8
• Molecular Formula: C₉H₁₁ClFN
• Molecular Weight: 187.644
• Hs Code.: 2921499090
• European Community (EC) Number: 675-779-9
• DSSTox Substance ID: DTXSID10978741
• Nikkaji Number: J1.622.371I
• Wikidata: Q72450089
• Mol file: 62924-59-8.mol

Synonyms:62924-59-8;2-Chloro-N-ethyl-6-fluorobenzenemethanamine;N-(2-chloro-6-fluorobenzyl)ethanamine;N-[(2-chloro-6-fluorophenyl)methyl]ethanamine;(2-Chloro-6-fluoro-benzyl)-ethyl-amine;Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-;N-(2-Chloro-6-Fluorobenzyl)-N-Ethylamine;n-ethyl-2-chloro-6-fluorobenzylamine;C9H11ClFN;N-[(2-chloro-6-fluoro-phenyl)methyl]ethanamine;SCHEMBL2221552;DTXSID10978741;UYMQEQZDCJUWPU-UHFFFAOYSA-N;MFCD00053426;STL308498;AKOS000174934;AM101053;BS-17353;LS-30421;[(2-chloro-6-fluorophenyl)methyl]ethylamine;CS-0151972;I11017;A834092

Chemical Property of 2-Chloro-N-ethyl-6-fluorobenzenemethanamine

Chemical Property:

• Vapor Pressure: 0.0988mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 222.9 °C at 760 mmHg
• PKA: 8.34±0.10(Predicted)
• Flash Point: 88.6 °C
• PSA: 12.03000
• Density: 1.146 g/cm³
• LogP: 2.97950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.0564052
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-N-ethyl-6-fluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCC1=C(C=CC=C1Cl)F

Technology Process of 2-Chloro-N-ethyl-6-fluorobenzenemethanamine

There total 2 articles about 2-Chloro-N-ethyl-6-fluorobenzenemethanamine 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: 97.22%

→ N-ethyl-2-chloro-6-fluoro-benzylamine (62924-59-8)

Guidance literature:

Reference yield:

C9H9ClFNO (661452-15-9) → N-ethyl-2-chloro-6-fluoro-benzylamine (62924-59-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 70 ℃;

DOI:10.1016/j.bmcl.2008.03.026

Reference yield:

N-ethyl-2-chloro-6-fluoro-benzylamine (62924-59-8) + C19H22N2O6S → C28H31ClFN3O5S

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride;

DOI:10.1016/j.bmcl.2008.03.026

upstream raw materials:

C₉H₉ClFNO

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