(3-Chloro-4-fluorophenyl)cyanamide

Base Information

• Chemical Name: (3-Chloro-4-fluorophenyl)cyanamide
• CAS No.: 154496-90-9
• Molecular Formula: C7H4ClFN2
• Molecular Weight: 170.574
• DSSTox Substance ID: DTXSID40514333
• Wikidata: Q82374594
• Mol file: 154496-90-9.mol

Synonyms:(3-Chloro-4-fluorophenyl)cyanamide;154496-90-9;N-(3-chloro-4-fluorophenyl)cyanamide;SCHEMBL9494328;3-chloro-4-fluorophenylcyanamide;DTXSID40514333;AKOS005305963;EN300-88349;[(3-CHLORO-4-FLUOROPHENYL)AMINO]FORMONITRILE

Chemical Property of (3-Chloro-4-fluorophenyl)cyanamide

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.0047040
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC#N)Cl)F

Technology Process of (3-Chloro-4-fluorophenyl)cyanamide

There total 2 articles about (3-Chloro-4-fluorophenyl)cyanamide 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: 87.0%

1-(3-chloro-4-fluorophenyl)-1H-1,2,3,4-tetrazole (351373-03-0) → 3-chloro-4-fluorophenylcyanamide (154496-90-9)

Guidance literature:

With potassium hydroxide; dimethyl sulfoxide; In ethanol;

DOI:10.1007/s10593-005-0267-4

Reference yield:

3-chloro-4-fluorophenylamine (367-21-5) → 3-chloro-4-fluorophenylcyanamide (154496-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaN₃; AcOH / 80 - 95 °C

2: 87 percent / aq. KOH; DMSO / ethanol

With potassium hydroxide; sodium azide; acetic acid; dimethyl sulfoxide; In ethanol;

DOI:10.1007/s10593-005-0267-4

Reference yield: 76.0%

3-chloro-4-fluorophenylcyanamide (154496-90-9) → 1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-amine

Guidance literature:

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; at 70 - 80 ℃;

DOI:10.1007/s10593-005-0267-4

upstream raw materials:

1-(3-chloro-4-fluorophenyl)-1H-1,2,3,4-tetrazole

3-chloro-4-fluorophenylamine

Downstream raw materials:

2-Imino-3-(3-chloro-4-fluoro)phenyl-5-ethyl-1,3-thiazolidine