5285-87-0

Basic information

• Product Name: PHENYLTHIOCYANATE
• Synonyms: thiocyanatobenzene
• CAS NO: 5285-87-0
• Molecular Formula: C₇H₅NS
• Molecular Weight: 135.19
• Mol File: 5285-87-0.mol
• Article Data: 46

Chemical Properties

• Melting Point: 210-212 °C
• Boiling Point: 232.5°C (rough estimate)
• Flash Point: 94.4°C
• Appearance: /
• Density: 1.1530
• Vapor Pressure: 0.0588mmHg at 25°C
• Refractive Index: 1.6100 (estimate)
• CAS DataBase Reference: PHENYLTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: PHENYLTHIOCYANATE(5285-87-0)
• EPA Substance Registry System: PHENYLTHIOCYANATE(5285-87-0)

Safety Data

• Hazardous Substances Data: 5285-87-0(Hazardous Substances Data)

Usage

Hazard

A poison by ingestion.

Safety Profile

A poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and SOx.

InChI:InChI=1/C7H5NS/c8-6-9-7-4-2-1-3-5-7/h1-5H

Upstream product

• 2684-02-8 benzenediazonium 
• 333-20-0 potassium thioacyanate 
• 108-98-5 thiophenol 
• 506-77-4 cyanogen chloride 
• 75-01-4 chloroethylene 
• 369-57-3 benzenediazonium tetrafluoroborate 
• 75-35-4 1,1-Dichloroethylene 
• 557-42-6 zinc(II) thiocyanate 
• 591-51-5 phenyllithium 
• 447-14-3 1,2,2-trifluorostyrene 
• 106-92-3 Allyl glycidyl ether 
• 1111-67-7 copper(I) thiocyanate 
• 459-64-3 4-methoxybenzenediazonium tetrafluoroborate 
• 459-44-9 4-methylbenzenediazonium tetrafluoroborate 

Downstream Products

• 884-09-3 phenyl thiobenzoate 
• 623-78-9 ethyl N-ethylcarbamate 
• 622-38-8 Ethyl phenyl sulfide 
• 882-33-7 diphenyldisulfane 
• 56741-04-9 S-phenyl tert-butylcarbamothioate 
• 1889-58-3 O,O-diethyl S-phenyl phosphorothioate 
• 107-12-0 propiononitrile 
• 23547-12-8 N-<2-Chlor-cyclohexyl>-thiolkohlensaeureamid-S-phenylester 
• 91225-60-4 2-Phenylsulfanyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 
• 93782-77-5 (E)-1-iodo-5-(phenylsulfonyl)-1-pentene 
• 104376-48-9 (E)-1-iodo-5-(phenylthio)-1-pentene 
• 95763-59-0 (2E,6E)-3,7-dimethyl-8-<(2-tetrahydropyranyl)oxy>-2,6-octadienyl phenyl sulfide 
• 99120-90-8 N,N-Dimethyl-N'-<4-phenyl-3-(phenylthio)-1,2,4-thiadiazol-5(4H)-yliden>thioharnstoff 
• 65842-44-6 Cyclohex-3-enecarbothioic acid S-phenyl ester 

Relevant articles and documents

Synthesis and antimicrobial properties of 4-(2-thiocyanato-3-arylpropionyloxy)butyl acrylates

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Synthesis of Thio-/Selenopyrrolines via SnCl4-Catalyzed (3+2)-Cycloadditions of Donor-Acceptor Cyclopropanes with Thio-/Selenocyanates

A straightforward protocol has been developed to access thio-/selenopyrrolines through a (3+2)-cycloaddition of aryl thio-/selenocyanates with donor-acceptor cyclopropanes (DACs) in the presence of SnCl4 as a Lewis acid catalyst. Further, good chemoselectivity was observed when DACs were treated with 3-cyano phenyl thiocyanate. These results suggest that thiocyanate is more reactive than nitrile moiety in such (3+2)-cycloaddition reactions.

Selectfluor-initiated cyanation of disulfides to thiocyanates

A Selectfluor-initiated cyanation of disulfides to thiocyanates has been developed. In this process, Selectfluor was employed as the oxidant and trimethylsilyl cyanide was used as the cyanation reagent. It provides an eco-friendly and simple way to synthesize the thiocyanates.

Electrochemical ipso-Thiocyanation of Arylboron Compounds

An operationally simple electrochemical method for the transition-metal-free ipso-thiocyanation of arylboronic acids and aryl trifluoroborates has been developed. The SCN electrophile is generated in situ by anodic oxidation of thiocyanate anions, which avoids formation of salt waste and prevents unwanted side reactions arising from chemical oxidants. The reaction proceeds regiospecifically, and the scope extends to non-activated aromatic systems. (Figure presented.).