59607-71-5

Basic information

• Product Name: 4-METHOXY-2-NITROPHENYLTHIOCYANATE
• Synonyms: 4-METHOXY-2-NITROPHENYLTHIOCYANATE;Thiocyanic acid 4-methoxy-2-nitrophenyl ester
• CAS NO: 59607-71-5
• Molecular Formula: C₈H₆N₂O₃S
• Molecular Weight: 210.22
• Mol File: 59607-71-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 347.5°C at 760 mmHg
• Flash Point: 164°C
• Appearance: /
• Density: 1.4809 (rough estimate)
• Vapor Pressure: 5.35E-05mmHg at 25°C
• Refractive Index: 1.5690 (estimate)
• CAS DataBase Reference: 4-METHOXY-2-NITROPHENYLTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHOXY-2-NITROPHENYLTHIOCYANATE(59607-71-5)
• EPA Substance Registry System: 4-METHOXY-2-NITROPHENYLTHIOCYANATE(59607-71-5)

Safety Data

• Hazardous Substances Data: 59607-71-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H6N2O3S/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3

Upstream product

• 333-20-0 potassium thioacyanate 
• 96-96-8 4-methoxy-2-nitroaniline 
• 540-72-7 sodium thiocyanide 

Downstream Products

• 959144-33-3 4-methoxy-2-nitro-1-[(trifluormethyl)thio]benzene 
• 1354030-29-7 5-(3-(4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl)propoxy)benzo[d]thiazole 
• 1354030-27-5 5-(4-(4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl)butoxy)benzo[d]thiazole 
• 1354030-71-9 5-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)benzo[d]thiazole 
• 1354030-52-6 5-(3-(4-(2,3-dichlorophenyl)piperazin-1-yl)propoxy)benzo[d]thiazole 
• 1354030-51-5 UNC₉₉₉₄ 
• 1354030-50-4 5-(4-(4-(2,3-dichlorophenyl)piperidin-1-yl)butoxy)benzo[d]thiazole 
• 4274-41-3 2-amino-4-methoxy-benzenethiol; hydrochloride 
• 7686-41-1 5-hydroxybenzothioazole 
• 2942-14-5 5-methoxy-1,3-benzothiazole 
• 14371-84-7 4,4′-dimethoxy-2,2′-dinitro-diphenyl disulfide 

Relevant articles and documents

Iron-Catalyzed Decarboxylation of Trifluoroacetate and Its Application to the Synthesis of Trifluoromethyl Thioethers

Nucleophilic CF3 has been generated by decarboxylation of potassium trifluoroacetate, arguably the most easy-to-handle, inexpensive, and sustainable source of trifluoromethyl groups. Simple iron(II) chloride catalyzes the decarboxylation as well as a subsequent trifluoromethylation of organothiocyanates, resulting in a straightforward synthesis of trifluoromethyl thioethers. The KCN byproduct is absorbed by iron(II) with formation of nontoxic potassium hexacyanoferrate. An analogous trifluoromethylation of aldehydes with trifluoroacetate underlines the synthetic potential of such iron-catalyzed decarboxylative trifluoromethylations.