625-59-2

Basic information

• Product Name: Isopropylthiocyanate
• Synonyms: Thiocyanic acid isopropyl ester;propan-2-yl thiocyanate
• CAS NO: 625-59-2
• Molecular Formula: C₄H₇NS
• Molecular Weight: 101.17
• Mol File: 625-59-2.mol

Chemical Properties

• Boiling Point: 153°C
• Flash Point: 46.7 °C
• Appearance: /
• Density: 0.948
• Vapor Pressure: 3.3mmHg at 25°C
• Refractive Index: 1.5270 (estimate)
• CAS DataBase Reference: Isopropylthiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropylthiocyanate(625-59-2)
• EPA Substance Registry System: Isopropylthiocyanate(625-59-2)

Safety Data

• Hazardous Substances Data: 625-59-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Isopropylthiocyanate is used as a versatile compound for the preparation of various thiocyanate derivatives, which are essential in the development of pharmaceutical products.
Used in Agrochemical Industry:
Isopropylthiocyanate is used as a building block in the production of agrochemicals, contributing to the development of effective and innovative solutions for agriculture.
Used in Organic Synthesis:
Isopropylthiocyanate is used as a reagent in organic synthesis, enabling the formation of new chemical products through its ability to react with a variety of other compounds.

InChI:InChI=1/C4H7NS/c1-4(2)6-3-5/h4H,1-2H3

Upstream product

• 689-77-0 α-thiocyanato-acetic acid methyl ester 
• 75-33-2 2-propanethiol 
• 15767-51-8 2-isopropoxy-benzo[1,3,2]dioxaphosphole 
• 1147550-11-5 ammonium thiocyanate 

Downstream Products

• 79985-91-4 thiophosphoric acid S-isopropyl ester O,O'-dimethyl ester 
• 21406-33-7 benzoyl-dithiocarbamic acid isopropyl ester 
• 10147-37-2 Isopropylsulfonyl chloride 
• 192937-16-9 N-isopropyl-N’-(4-nitrophenyl)thiourea 
• 23547-09-3 N-<2-Chlor-cyclohexyl>-thiolkohlensaeureamid-S-isopropylester 
• 63785-58-0 O,O,S-triisopropyl phosphorothioate 
• 7677-24-9 trimethylsilyl cyanide 
• 106002-83-9 3-(4-chloro-phenyl)-1-phenyl-propane-1,2-dione 
• 106002-78-2 erythro-N-(2-benzoyl-1-p-chlorophenyl-2-chloroethyl)-S-isopropyl thiocarbamate 
• 106002-84-0 3-(4-bromophenyl)-1-phenylpropane-1,2-dione 
• 106002-81-7 erythro-N-(2-benzoyl-1-p-bromophenyl-2-chloroethyl)-S-isopropyl thiocarbamate 
• 78-82-0 Isobutyronitrile 
• 4154-77-2 hexaethyl-thiophosphamide 
• 142605-42-3 C₂₀H₃₇N₈P 

Relevant articles and documents

Efficient conversion of thiols to thiocyanates by in situ generated Ph3P(SCN)2

A new, novel, rapid and simple method is described for the one-pot conversion of thiols to thiocyanates by use of in situ generated PPh3(SCN)2 at room temperature.

SYNTHESIS OF ISOTHIOCYANATOPHOSPHORANES AND ISOTHIOCYANATOPHOSPHONIUM SALTS VIA OXIDATIVE ADDITION OF THIOCYANOGEN AND LIGAND SUBSTITUTION. NOVEL REAGENTS FOR CONVERTING HYDROXY GROUPS INTO THIOCYANATE AND ISOTHIOCYANATE FUNCTIONS UNDER MILD CONDITIONS

The oxidative addition of thiocyanogen to triphenilphosphine has been investigated by (31)P NMR spectroscopy showing the formation of the isothiocyanatophosphonium salt 8.The analogous reaction between thiocyanogen and alkyl o-phenylene phosphites 7 leads to diisothiocyanatophosphoranes 9.The same products were prepared via ligand substitution from the corresponding chlorophosphonium salt 12 and alkyldichloro-o-phenylene phosphoranes 13 by the action of potassium thiocyanate in the presence of 18-crown-6-ether or more conveniently using lead thiocyanate.The phosphonium salt 8 and phosphoranes 9 were employed as convenient novel reagents for converting hydroxy groups into thiocyanate and isothiocyanate function with high stereoselectivity under very mild conditions.The efficient synthesis of acylisothiocyanates RCONCS,R2P(O)NCS and R2P(S)NCS via addition of thiocyanogen to mixed anhydrides is of special interest.