1539-20-4

Basic information

• Product Name: 2,3-DIMETHYLPHENYL ISOTHIOCYANATE
• Synonyms: AKOS BBS-00004435;AKOS B016334;2,3-DIMETHYLPHENYL ISOTHIOCYANATE;1-ISOTHIOCYANATO-2,3-DIMETHYLBENZENE;ART-CHEM-BB B016334;2,3-Dimethylisothiocyanatobenzene;2,3-Dimethylphenyl isothiocyate, 99%
• CAS NO: 1539-20-4
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Mol File: 1539-20-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 22-23 °C
• Boiling Point: 128 °C
• Flash Point: 125.8 °C
• Appearance: /
• Density: 1.08
• Vapor Pressure: 0.00655mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: 2,3-DIMETHYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIMETHYLPHENYL ISOTHIOCYANATE(1539-20-4)
• EPA Substance Registry System: 2,3-DIMETHYLPHENYL ISOTHIOCYANATE(1539-20-4)

Safety Data

• Hazard Codes: Xi,C
• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT, CORROSIVE
• Hazardous Substances Data: 1539-20-4(Hazardous Substances Data)

Usage

General Description

2,3-DIMETHYLPHENYL ISOTHIOCYANATE, also known as 2,3-dimethylphenyl isothiocyanate, is a chemical compound with the molecular formula C9H9NS. It is a derivative of isothiocyanate, which is a functional group consisting of a nitrogen atom bonded to a sulfur atom, which is in turn bonded to a carbon atom. 2,3-DIMETHYLPHENYL ISOTHIOCYANATE is commonly used in organic synthesis, particularly in the preparation of various pharmaceutical and agrochemical intermediates. It is known for its strong, pungent odor and is often used as a reagent in chemical research and industrial processes. Additionally, it has been studied for its potential biological activities, including its potential as an anticancer agent.

InChI:InChI=1/C9H9NS/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3

Upstream product

• 87-59-2 2,3-Dimethylaniline 
• 108654-37-1 ammonium 2,3-dimethylphenyl dithiocarbamate 
• 463-71-8 thiophosgene 
• 5417-45-8 2,3-dimethylaniline hydrochloride 
• 88101-26-2 N,N'-bis-(2,3-dimethyl-phenyl)-thiourea 
• 108-24-7 acetic anhydride 
• 75-15-0 carbon disulfide 

Downstream Products

• 891089-69-3 N-(2,3-dimethylphenyl)-2-(2-methylbenzoyl)hydrazinecarbothioamide 
• 519043-39-1 N-(2,3-dimethylphenyl)-2-(benzoyl)hydrazinecarbothioamide 
• 866819-66-1 2-(4-chlorobenzoyl)-N-(2,3-dimethylphenyl)hydrazinecarbothioamide 
• 1257422-52-8 5-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine 
• 1257422-53-9 N-(2,3-dimethylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine 
• 879074-83-6 5-(4-chlorophenyl)-4-(2,3-dimethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 914206-39-6 4-(2,3-dimethylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 917746-27-1 4-(2,3-dimethylphenyl)-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 13278-47-2 4-(2',3'-Dimethylphenyl)-thiosemicarbazid 
• 1200438-28-3 2-[1-(2,3-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[2-(4-methoxy-3-methyl-benzyl)-2H-pyrazol-3-yl]-acetamide 
• 1200438-27-2 2-[1-(2,3-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[2-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-acetamide 
• 1200439-85-5 [1-(2,3-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetic acid ethyl ester 
• 1200439-62-8 N-[2-(3,4-dichloro-phenyl)-2H-pyrazol-3-yl]-2-[1-(2,3-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide 
• 108654-36-0 C₁₁H₁₁NOS₂ 

Relevant articles and documents

A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts

A catalyst-free method for the preparation of 1,4,2-dithiazoles is developed by reactions of isothiocyanates with hydroxylamine triflic acid salts. This reaction achieves C-S, C-N, and S-N bond formation, and a range of products are obtained in moderate to good yields. The obvious feature is using shelf-stable hydroxylamine triflic acid salts as a N source to synthesize heterocycles under mild conditions.

Facile and versatile synthesis of alkyl and aryl isothiocyanates by using triphosgene and cosolvent

A mild and efficient method for the conversion of alkyl and aryl amines to isothiocyanates via dithiocarbamates has been developed using (CH 3)2CO-CS2 as co-solvent and triphosgene as dehydrosulfurization reagent. High yields, mild reaction conditions and excellent functional group compatibility make it become a versatile synthetic method for the preparation of isothiocyanates compared with reported methods. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications for the following free supplemental resource(s): Full experimental and spectral details.]

Diversity-orientated synthesis of 3,5-bis(arylamino)pyrazoles

The synthesis of differentially-substituted 3,5-bis(arylamino)pyrazoles has not yet been documented. During our investigation, we managed to develop a novel, entirely combinatorial synthesis of 3,5-bis(arylamino)pyrazoles relying on a simple one-pot two-step operation.