[4-[Bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate

Base Information

• Chemical Name: [4-[Bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate
• CAS No.: 22953-55-5
• Molecular Formula: C₁₇H₁₆Cl₂FNO₂
• Molecular Weight: 356.224
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID60177500
• Nikkaji Number: J50.110G
• Wikidata: Q83047831
• ChEMBL ID: CHEMBL3246951
• Mol file: 22953-55-5.mol

Synonyms:22953-55-5;[4-[bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate;Phenol, p-(bis(2-chloroethyl)amino)-, m-fluorobenzoate;BRN 2767666;p-(Bis(2-chloroethyl)amino)phenol m-fluorobenzoate;p-(Bis(2-chloroethyl)amino)phenyl m-fluorobenzoate;Benzoic acid, m-fluoro-, p-(bis(2-chloroethyl)amino)phenyl ester;CHEMBL3246951;DTXSID60177500

Chemical Property of [4-[Bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate

Chemical Property:

• Vapor Pressure: 1.35E-09mmHg at 25°C
• Boiling Point: 485.9°Cat760mmHg
• Flash Point: 247.7°C
• PSA: 29.54000
• Density: 1.315g/cm³
• LogP: 4.32890
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 355.0542123
• Heavy Atom Count: 23
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl

Technology Process of [4-[Bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate

There total 1 articles about [4-[Bis(2-chloroethyl)amino]phenyl] 3-fluorobenzoate 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:

→ 3-Fluor-benzoesaeure-4-(N,N-bis-(2-chlorethyl)-amino)-phenylester (22953-55-5)

Guidance literature:

3-Fluorbenzoylchlorid, 4-(N,N-Bis-(2-chlorethyl)-amino)-phenol, Py., Dampfbad;

DOI:10.1021/jm00303a603

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