3-Chlorophenylcyanamide

Base Information

• Chemical Name: 3-Chlorophenylcyanamide
• CAS No.: 54507-99-2
• Molecular Formula: C7H5ClN2
• Molecular Weight: 152.583
• European Community (EC) Number: 970-263-2
• Nikkaji Number: J604.954K
• Mol file: 54507-99-2.mol

Synonyms:N-(3-Chlorophenyl)-cyanamide;54507-99-2;(3-chlorophenyl)cyanamide;[(3-Chlorophenyl)amino]carbonitrile;[(3-chlorophenyl)amino]formonitrile;3-Chlorophenylcyanamide;3-chloro-phenyl-cyanamide;SCHEMBL2295342;AKOS005305628;CS-0238407;EN300-194847;Z991532332

Chemical Property of 3-Chlorophenylcyanamide

Chemical Property:

• PSA: 35.82000
• LogP: 2.30598
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.0141259
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

95% ^*data from raw suppliers

N-(3-Chlorophenyl)-cyanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)NC#N
• Uses: N-(3-Chlorophenyl)-cyanamide is used in the synthesis of novel N-Aryl N’-Hydroxyguanidines used as NO-donors.

Technology Process of 3-Chlorophenylcyanamide

There total 8 articles about 3-Chlorophenylcyanamide 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: 98.0%

m-chlorophenyl isocyanate (2909-38-8) → N-(3-chlorophenyl)cyanamide (54507-99-2)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1055/s-2006-932470

Reference yield: 84.0%

bromocyane (506-68-3) + 3-chloro-aniline (108-42-9) → N-(3-chlorophenyl)cyanamide (54507-99-2)

Guidance literature:

With triethylamine; In diethyl ether; at 0 ℃;

DOI:10.1039/c2ob06916d

Reference yield:

1-(3-chlorophenyl)-2-thiourea (4947-89-1) → N-(3-chlorophenyl)cyanamide (54507-99-2)

Guidance literature:

With lead(IV) tetraacetate; In sodium hydroxide;

upstream raw materials:

3-chloro-aniline

cyanogen chloride

1-(3-chlorophenyl)-2-thiourea

m-chlorophenyl isocyanate

Downstream raw materials:

{(Cu(C₁₈H₁₅P)2ClC₆H₄NCN)2}

1-allyl-3-(3-chlorophenyl)urea

1-benzyl-3-(3-chlorophenyl)urea

1-(tert-butyl)-3-(3-chlorophenyl)urea

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