Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-

Base Information

• Chemical Name: Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-
• CAS No.: 22116-18-3
• Molecular Formula: C10H12 Cl2 F N
• Molecular Weight: 236.116
• NSC Number: 269048
• UNII: THX7B4FV58
• DSSTox Substance ID: DTXSID00176633
• Nikkaji Number: J672.062E
• Wikidata: Q83046941
• Mol file: 22116-18-3.mol

Synonyms:Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-;22116-18-3;ANILINE, N,N-BIS(2-CHLOROETHYL)-p-FLUORO-;N,N-Bis(2-chloroethyl)-p-fluoroaniline;THX7B4FV58;NSC 269048;NSC-269048;BRN 2838457;NSC269048;UNII-THX7B4FV58;SCHEMBL5987618;DTXSID00176633;WHBKJPHTKQXBNJ-UHFFFAOYSA-N;N,N-di(2-chloroethyl)-4-fluoroaniline;4-Fluoro-N,N-bis(2-chloroethyl)aniline;LS-19593;N,N-bis(2-chloroethyl)-4-fluorophenylamine;Benzenamine,N-bis(2-chloroethyl)-4-fluoro-;N,N-BIS(2-CHLOROETHYL)-4-FLUOROBENZENAMINE

Chemical Property of Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-

Chemical Property:

• Vapor Pressure: 0.000353mmHg at 25°C
• Boiling Point: 318.8°C at 760 mmHg
• Flash Point: 146.6°C
• Density: 1.259g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 235.0330829
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N(CCCl)CCCl)F

Technology Process of Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-

There total 2 articles about Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro- 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:

2-[(4-fluorophenyl)(2-hydroxyethyl)amino]ethan-1-ol (324-67-4) → N-(4-fluorophenyl)-N,N-bis-(2-chloroethyl)-amine (22116-18-3)

Guidance literature:

With trichlorophosphate;

Reference yield:

4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-N,N-bis-(2-chloroethyl)-amine (22116-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: POCl₃

With water; trichlorophosphate;

Reference yield: 82.0%

N-(4-fluorophenyl)-N,N-bis-(2-chloroethyl)-amine (22116-18-3) + (R)-3-ethynylcyclopent-2-enamine hydrochloride → (R)-1-(3-ethynylcyclopent-2-en-1-yl)-4-(4-fluorophenyl)piperazine

Guidance literature:

With sodium hydrogencarbonate; potassium iodide; In butan-1-ol; at 110 ℃; for 18h; Inert atmosphere;

upstream raw materials:

2-[(4-fluorophenyl)(2-hydroxyethyl)amino]ethan-1-ol

4-fluoroaniline

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