N-(Pentafluorophenyl)benzenecarboximidoyl chloride

Base Information

• Chemical Name: N-(Pentafluorophenyl)benzenecarboximidoyl chloride
• CAS No.: 87228-28-2
• Molecular Formula: C13H5ClF5N
• Molecular Weight: 305.634
• DSSTox Substance ID: DTXSID50579458
• Nikkaji Number: J752.353J
• Mol file: 87228-28-2.mol

Synonyms:N-(Pentafluorophenyl)benzenecarboximidoyl chloride;87228-28-2;DTXSID50579458;N-pentafluorophenylbenzimidoyl chloride

Chemical Property of N-(Pentafluorophenyl)benzenecarboximidoyl chloride

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 305.0030677
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NC2=C(C(=C(C(=C2F)F)F)F)F)Cl

Technology Process of N-(Pentafluorophenyl)benzenecarboximidoyl chloride

There total 6 articles about N-(Pentafluorophenyl)benzenecarboximidoyl chloride 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%

N-(pentafluorophenyl)carbonimidoyl dichloride (64317-34-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N-(pentafluorophenyl)-benzimidoyl chloride (87228-28-2)

Guidance literature:

With aluminium trichloride; at 60 ℃; for 2h;

DOI:10.1007/BF00699191

Reference yield: 50.0%

2,3,4,5,6-pentafluoroaniline (771-60-8) + α,α,α-trifluorotoluene (98-08-8) → N-(pentafluorophenyl)-benzimidoyl chloride (87228-28-2)

Guidance literature:

With aluminium trichloride; In chloroform; at 60 ℃; for 10h;

DOI:10.1007/BF01558072

Reference yield:

N-(pentafluorophenyl)carbonimidoyl dichloride (64317-34-6) + benzoic acid (65-85-0,8013-63-6) → 2,3,4,5,6-pentafluoroaniline (771-60-8) + 1,3-Bis(pentafluorophenyl)urea (21132-30-9) + N-pentafluorophenylbenzamide (28078-83-3) + N-(pentafluorophenyl)-benzimidoyl chloride (87228-28-2)

Guidance literature:

With aluminium trichloride; at 130 ℃; for 9h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/s11178-005-0147-5

upstream raw materials:

2,3,4,5,6-pentafluoroaniline

Benzotrichlorid

N-(pentafluorophenyl)carbonimidoyl dichloride

benzene

Downstream raw materials:

4-Dimethylamino-1-{[(Z)-pentafluorophenylimino]-phenyl-methyl}-pyridinium; chloride

5-methyl-3-[phenyl(pentafluorophenylimino)methyl]biphenyl-2-ol

2-Phenyl-4,5,6,7-tetrafluorobenzothiazole

N-pentafluorophenylbenzamide