2-fluoroaniline Hydrochloride

Base Information

• Chemical Name: 2-fluoroaniline Hydrochloride
• CAS No.: 51085-49-5
• Molecular Formula: C6H7ClFN
• Molecular Weight: 147.58
• Hs Code.: 2921420090
• European Community (EC) Number: 610-609-9
• DSSTox Substance ID: DTXSID40574073
• Mol file: 51085-49-5.mol

Synonyms:2-fluoroaniline;2-fluoroaniline hydrochloride

Chemical Property of 2-fluoroaniline Hydrochloride

Chemical Property:

• PSA: 26.02000
• LogP: 2.79110
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.0251051
• Heavy Atom Count: 9
• Complexity: 74.9

Purity/Quality:

98%Min ^*data from raw suppliers

2-FLUOROANILINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-fluoroaniline Hydrochloride

There total 2 articles about 2-fluoroaniline Hydrochloride 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: 56.0%

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-fluoroaniline hydrochloride (51085-49-5)

Guidance literature:

ortho-nitrofluorobenzene; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In diethyl ether; dichloromethane;

DOI:10.1002/ejoc.202100073

Reference yield:

2-Fluoroaniline (348-54-9) → 2-fluoroaniline hydrochloride (51085-49-5)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1007/s00706-008-0913-5

Reference yield: 90.0%

potassium thioacyanate (333-20-0) + 2-fluoroaniline hydrochloride (51085-49-5) → N-(2-fluorophenyl)thiourea (656-32-6)

Guidance literature:

In water; for 4h; Heating;

upstream raw materials:

ortho-nitrofluorobenzene

2-Fluoroaniline

Downstream raw materials:

N-Adamantan-1-yl-N'-(2-fluoro-phenyl)-guanidine

3-(2-Fluorophenyl)-3,7-dihydro-2,5-dimethyl-4H-pyrrolo<2,3-d>pyrimidin-4-imine

N-(2-fluorophenyl)thiourea

(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(2-fluoro-phenyl)-amine