4-Bromo-3-chloro-2-fluoroaniline

Base Information

• Chemical Name: 4-Bromo-3-chloro-2-fluoroaniline
• CAS No.: 115843-99-7
• Molecular Formula: C6H4 Br Cl F N
• Molecular Weight: 224.46
• Hs Code.: 2921420090
• European Community (EC) Number: 831-249-0
• DSSTox Substance ID: DTXSID90382226
• Nikkaji Number: J3.217.318G
• Wikidata: Q72452583
• Mol file: 115843-99-7.mol

Synonyms:4-bromo-3-chloro-2-fluoroaniline;115843-99-7;Benzenamine, 4-bromo-3-chloro-2-fluoro-;MFCD04039280;(4-Bromo-3-chloro-2-fluorophenyl)amine;4-bromo-3-chloro-2-fluorobenzenamine;SCHEMBL159571;DTXSID90382226;WYXZIQDHENNEPU-UHFFFAOYSA-N;4-bromo-3-chloro-2-fluoro-aniline;AKOS005255700;PS-10198;SY022863;4-bromanyl-3-chloranyl-2-fluoranyl-aniline;CS-0103942;FT-0677920;EN300-134740;A803493;J-514712;Z1269194938

Chemical Property of 4-Bromo-3-chloro-2-fluoroaniline

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 51-53°C
• Boiling Point: 262.7°Cat760mmHg
• PKA: 1.44±0.10(Predicted)
• Flash Point: 112.7°C
• PSA: 26.02000
• Density: 1.809g/cm³
• LogP: 3.40500
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.91997
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

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

4-Bromo-3-chloro-2-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)F)Cl)Br

Technology Process of 4-Bromo-3-chloro-2-fluoroaniline

There total 1 articles about 4-Bromo-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: 65.0%

3-chloro-2-fluoroaniline (2106-04-9) → 4-bromo-3-chloro-2-fluoroaniline (115843-99-7)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 96.0%

4-bromo-3-chloro-2-fluoroaniline (115843-99-7) + acetic anhydride (108-24-7) → N-(4-bromo-3-chloro-2-fluorophenyl)acetamide (143360-05-8)

Guidance literature:

With pyridine; In ethyl acetate; at 0 - 20 ℃;

Reference yield: 92.0%

4-bromo-3-chloro-2-fluoroaniline (115843-99-7) + copper(l) cyanide → 4-amino-2-chloro-3-fluorobenzonitrile (757247-99-7)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 170 ℃; for 1h; Microwave irradiation; Sealed tube;

upstream raw materials:

3-chloro-2-fluoroaniline

Downstream raw materials:

N-(4-bromo-3-chloro-2-fluorophenyl)acetamide

3-chloro-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

4-amino-2-chloro-3-fluorobenzonitrile

C₈H₂ClFN₂S

Refernces

• 1、 -. "INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE". Page/Page column 86. . Retrieved 2019/12/04.
• 2、 -. "ANDROGEN RECEPTOR ANTAGONISTS AND USES THEREOF". Page/Page column 60. . Retrieved 2011/04/18.