2-Chloro-6-fluorobenzylamine

Base Information

• Chemical Name: 2-Chloro-6-fluorobenzylamine
• CAS No.: 15205-15-9
• Molecular Formula: C7H7ClFN
• Molecular Weight: 159.591
• Hs Code.: 29214990
• European Community (EC) Number: 239-259-1
• UNII: 8260BV7XB1
• DSSTox Substance ID: DTXSID70164946
• Nikkaji Number: J218.375G
• Wikidata: Q27269307
• Mol file: 15205-15-9.mol

Synonyms:2-Chloro-6-fluorobenzylamine;15205-15-9;2-chloro-6-fluorobenzyl amine;(2-chloro-6-fluorophenyl)methanamine;2-FLUORO-6-CHLOROBENZYLAMINE;6-chloro-2-fluorobenzylamine;Benzenemethanamine, 2-chloro-6-fluoro-;C7H7ClFN;EINECS 239-259-1;BenzylaMine, 2-chloro-6-fluoro- (8CI);UNII-8260BV7XB1;8260BV7XB1;2-Chloro-6-Fluorobenzylamine98%;BENZYLAMINE, 2-CHLORO-6-FLUORO-;C7-H7-Cl-F-N;SCHEMBL113076;2-chloro-6-fluoro-benzylamine;2 -Chloro-6 -fluorobenzylamine;DTXSID70164946;CS-B0077;2-Chloro-6-fluorobenzylamine, 97%;CK1117;MFCD00042458;AKOS000138436;PS-8783;SB76029;1-(2-chloro-6-fluorophenyl)methanamine;BenzylaMine,2-chloro-6-fluoro- (8CI);AC-10780;FT-0611859;EN300-33074;2-Chloro-6-fluorobenzylamine, >=98.0% (GC);A809249;W-108057;Q27269307

Chemical Property of 2-Chloro-6-fluorobenzylamine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.186mmHg at 25°C
• Refractive Index: n20/D 1.539
• Boiling Point: 211.112 °C at 760 mmHg
• PKA: 8.09±0.10(Predicted)
• Flash Point: 81.478 °C
• PSA: 26.02000
• Density: 1.271 g/cm³
• LogP: 2.63810
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.0251051
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Chloro-6-fluorobenzylamine

There total 3 articles about 2-Chloro-6-fluorobenzylamine 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: 89.0%

2-chloro-6-fluorobenzonitrile (668-45-1) → 2-chloro-6-fluorobenzyl amine (15205-15-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c8md00610e

Reference yield:

2-chloro-6 fluorobenzyl chloride (55117-15-2) → 2-chloro-6-fluorobenzyl amine (15205-15-9)

Guidance literature:

With ammonia; In benzene;

Reference yield:

→ 2-chloro-6-fluorobenzyl amine (15205-15-9)

Guidance literature:

2-Chlor-6-fluorbenzylchlorid, Ammoniak;

DOI:10.1021/jo00399a034

upstream raw materials:

2-chloro-6 fluorobenzyl chloride

2-chloro-6-fluorobenzonitrile

Downstream raw materials:

{2-[3-(2-chloro-6-fluoro-benzyl)-5-(2-fluoro-phenyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester

5-bromo-N-(2-chloro-6-fluorobenzyl)-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide

2-amino-5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]pyridine-3-carboxamide

Refernces

• 1、 Holshouser, Steven,Dunworth, Matthew,Murray-Stewart, Tracy,Peterson, Yuri K.,Burger, Pieter,Kirkpatrick, Joy,Chen, Huan-Huan,Casero, Robert A.,Woster, Patrick M.. "Dual inhibitors of LSD1 and spermine oxidase". . p. 778 - 790. Retrieved 2019/05/29.
• 2、 Haddenham, Dustin,Pasumansky, Lubov,DeSoto, Jamie,Eagon, Scott,Singaram, Bakthan. "Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane". supporting information; experimental part. p. 1964 - 1970. Retrieved 2009/07/01.