3-Chloro-2-fluoroaniline

Base Information

• Chemical Name: 3-Chloro-2-fluoroaniline
• CAS No.: 2106-04-9
• Molecular Formula: C6H5ClFN
• Molecular Weight: 145.564
• Hs Code.: 29214200
• European Community (EC) Number: 218-283-6
• DSSTox Substance ID: DTXSID0062183
• Nikkaji Number: J298.695G
• Wikidata: Q72450431
• Mol file: 2106-04-9.mol

Synonyms:3-Chloro-2-fluoroaniline;2106-04-9;2-fluoro-3-chloroaniline;Benzenamine, 3-chloro-2-fluoro-;MFCD00069415;3,4-chlorofluoroaniline;3-chloro-2 fluoroaniline;2-fluoro-3-chloro-aniline;3-chloro-2-fluoro aniline;3-chloro-2-fluoro-aniline;SCHEMBL112253;3-Chloro-2-fluoro-phenylamine;Aniline, 3-chloro-2-fluoro-;DTXSID0062183;3-Chloro-2-fluoroaniline, 97%;HMS1788P03;EINECS 218-283-6;STL168045;AKOS001116290;CS-W019569;PS-8956;AC-13781;A2726;AM20030336;C1659;FT-0634037;EN300-18758;D71211;W-107578

Chemical Property of 3-Chloro-2-fluoroaniline

Chemical Property:

• Appearance/Colour: clear light beige liquid
• Vapor Pressure: 0.125mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 218.6 °C at 760 mmHg
• PKA: 2.15±0.10(Predicted)
• Flash Point: 86 °C
• PSA: 26.02000
• Density: 1.349 g/cm³
• LogP: 2.64250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.0094550
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-2-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi, Xn
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-20/21/22-41-37/38-22-23/24/25
• Safety Statements: 26-36-36/37/39-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)F)N
• Uses: 3-Chloro-2-fluoroaniline may be used in the preparation of 2-chloro-3-fluorobromobenzene and 4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate.

Technology Process of 3-Chloro-2-fluoroaniline

There total 3 articles about 3-Chloro-2-fluoroaniline 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:

1-chloro-2-fluoro-3-nitrobenzene (2106-49-2) → 3-chloro-2-fluoroaniline (2106-04-9)

Guidance literature:

With iron;

DOI:10.1021/ja01510a021

Reference yield:

1,2-Dichloro-3-nitrobenzene (3209-22-1) → 3-chloro-2-fluoroaniline (2106-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide; potassium fluoride / 150 °C

2: iron

With potassium fluoride; iron; N,N-dimethyl-formamide;

DOI:10.1021/ja01510a021

Reference yield:

→ 3-chloro-2-fluoroaniline (2106-04-9)

Guidance literature:

upstream raw materials:

1-chloro-2-fluoro-3-nitrobenzene

1,2-Dichloro-3-nitrobenzene

Downstream raw materials:

2-fluoro-3-chlorophenol

7-(benzyloxy)-N-(3-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine hydrochloride

methyl (4R)-4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-L-prolinate hydrochloride

methyl (4S)-4-({4-[(3-chloro-2-fluorophenyl)amino]quinazolin-7-yl}oxy)-L-prolinate

Refernces

• 1、 -. "SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS". . . Retrieved 2008/06/13.