112028-28-1

Basic information

• Product Name: Thiocyanic acid, (4-cyanophenyl)methyl ester
• CAS NO: 112028-28-1
• Molecular Formula: C9H6N2S
• Molecular Weight: 174.226
• Mol File: 112028-28-1.mol

Chemical Properties

• CAS DataBase Reference: Thiocyanic acid, (4-cyanophenyl)methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Thiocyanic acid, (4-cyanophenyl)methyl ester(112028-28-1)
• EPA Substance Registry System: Thiocyanic acid, (4-cyanophenyl)methyl ester(112028-28-1)

Safety Data

• Hazardous Substances Data: 112028-28-1(Hazardous Substances Data)

Upstream product

• 1147550-11-5 ammonium thiocyanate 
• 17201-43-3 4-cyanobenzyl bromide 
• 874-89-5 4-Cyanobenzyl alcohol 
• 2290-65-5 trimethylsilyl isothiocyanate 
• 333-20-0 potassium thioacyanate 
• 874-86-2 4-cyanobenzyl chloride 

Downstream Products

• 93012-57-8 4,4′-thiobis(methylene)dibenzoic acid 
• 3694-48-2 4-isothiocyanatomethyl-benzonitrile 

Relevant articles and documents

Sulfuryl Fluoride Promoted Thiocyanation of Alcohols: A Practical Method for Preparing Thiocyanates

A novel SO 2F 2-promoted thiocyanation method for the one-step synthesis of thiocyanates through C-O bond cleavage of readily available alcohols with ammonium thiocyanate as the thiocyanating agent was developed. The method avoids the use of additional catalyst, and a variety of (hetero)arene, alkene and aliphatic alcohols reacted with high efficiency in ethyl acetate under mild conditions to afford the corresponding thiocyanates in excellent to quantitative yields with broad functional-group compatibility.

A convenient, rapid, and general synthesis of α-oxo thiocyanates using clay supported ammonium thiocyanate

A very rapid, convenient, and general method for the synthesis of α-oxo thiocyanates has been described by using clay supported ammonium thiocyanate. The procedure avoids the use of additional catalyst, solvent, aqueous work-up and the yields are high. Moreover, the method is applicable for a variety of aryl, heteroaryl, alkyl α-halo carbonyls, β-keto tosylates, α-halo β-dicarbonyl, α-tosyl, β-dicarbonyl, alkyl halide, and alkyl tosylates.

2-Hydroxy-N,N,N-tributylethanaminium thiocyanate as solvent and reagent for the preparation of alkyl thiocyanates

2-Hydroxy-N,N,N-tributylethanaminium thiocyanate was utilized as both solvent and reagent for the conversion of alkyl halides to the corresponding alkyl thiocyanates in good yields under mild conditions.

Substitution Reaction of Organic Halide by Trimethylsilyl Isothiocyanate: Formation of Thiocyanate and Its Rearrangement to Isothiocyanate

The reaction of organic halide with trimethylsilyl isothiocyanate (TMSTC) gave thiocyanate 1 and its isomerized isothiocyanate 2.Details of the substitution and the isomerization reactions were examined.