2253-73-8

Basic information

• Product Name: Isopropyl isothiocyanate
• Synonyms: 2-ISOTHIOCYANATO-PROPANE;IPNCS;ISOPROPYL ISOTHIOCYANATE;ISOTHIOCYANIC ACID ISOPROPYL ESTER;Propane, 2-isothiocyanato-;Isopropyl isothiocyanate, 95+%;Isothiocyanato-2-propane;Isopropyl isothiocya
• CAS NO: 2253-73-8
• Molecular Formula: C₄H₇NS
• Molecular Weight: 101.17
• EINECS: 218-851-3
• Product Categories: Aliphatics
• Mol File: 2253-73-8.mol
• Article Data: 13

Chemical Properties

• Melting Point: 168-170 °C
• Boiling Point: 29-30 °C10 mm Hg(lit.)
• Flash Point: 104 °F
• Appearance: /
• Density: 0.948 g/mL at 25 °C(lit.)
• Vapor Pressure: 7.58mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Water Solubility: Miscible with methanol. Hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 1739163
• CAS DataBase Reference: Isopropyl isothiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl isothiocyanate(2253-73-8)
• EPA Substance Registry System: Isopropyl isothiocyanate(2253-73-8)

Safety Data

• Hazard Codes: Xi,T
• Statements: 10-36/37/38-23/24/25
• Safety Statements: 16-26-36-45-38-36/37/39-28A
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 2253-73-8(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 2253-73-8 differently. You can refer to the following data:
1. Colorless liquid
2. Colorless liquid; penetrating, mustard-like aroma.

Occurrence

Reported found in Brussel sprouts, Chinese cabbage, Japanese horseradish, and wasabi.

Uses

Different sources of media describe the Uses of 2253-73-8 differently. You can refer to the following data:
1. Isopropyl isothiocyanate is used as is an antimicrobial agent. It is also used as medicinal intermediate.
2. Isopropyl isothiocyanate may be used to synthesize 4-bromo-5,6-dichloro-2-isopropylaminobenzimidazole.

Aroma threshold values

High strength odor, recommend smelling in a 0.01% solution or less.

General Description

Isopropyl isothiocyanate is an isothiocyanate derivative. It has been identified as one of the volatile components in the following:seed kernel and leaf of Moringa peregrina (Forssk.) Fiori, Agricolt1essential oil isolated from Upland Wasabi hydrodistillates of hedge mustard (Sysimbrium officinale)Molecular conformations of isopropyl isothiocyanate in gas phase have been determined by electron diffraction studies. It has been synthesized by employing isopropyl amine as a starting reagent.

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

Upstream product

• 2438-92-8 iso-C₃H₇NHC(S)SSC(S)NHC₃H₇ 
• 74-88-4 methyl iodide 
• 2307-69-9 toluene-4-sulfonic acid isopropyl ester 
• 333-20-0 potassium thioacyanate 
• 57361-49-6 2-propyloxycarbonylthiocyanate 
• 693-13-0 diisopropyl-carbodiimide 
• 1795-48-8 Isopropyl isocyanate 
• 13431-36-2 4-isopropyl-3-thiosemicarbazide 
• 7705-08-0 iron(III) chloride 
• 64-19-7 acetic acid 
• 75-31-0 isopropylamine 
• 15767-51-8 2-isopropoxy-benzo[1,3,2]dioxaphosphole 
• 5142-99-4 glucoputranjivine 
• 1147550-11-5 ammonium thiocyanate 

Downstream Products

• 859736-57-5 N'-isopropyl-N,N''-p-phenylene-bis-thiourea 
• 859733-08-7 N-[4-(4-chloro-phenyl)-N'-p-tolyl-carbamimidoyl]-N'-isopropyl-thiourea 
• 857977-15-2 N-[N-(4-chloro-phenyl)-N'-phenyl-carbamimidoyl]-N'-isopropyl-thiourea 
• 16349-62-5 3,3'-diisopropyl-1,1'-p-phenylene-bis-thiourea 
• 5848-27-1 N-cyano-N'-isopropyl-S-methyl-isothiourea 
• 1719-76-2 1-isopropylthiourea 
• 2986-17-6 1,3-diisopropylthiourea 
• 7465-08-9 1-(2-aminophenyl)-3-isopropylthiourea 
• 69909-79-1 N-(2-isopropyl-4-phenyl-3-thioxo-[1,2,4]thiadiazolidin-5-ylidene)-N'-phenyl-benzamidine 
• 65241-05-6 isopropylcarbamic acid 3-(2-chloro-phenothiazine-10-carbonyl)-3-aza-pentane-1,5-diyl ester 
• 20809-52-3 N-Isopropyl-N'-<4-acetoxyphenyl>-thioharnstoff 
• 32502-91-3 N-(4-Chloro-phenyl)-4-(3-isopropyl-thioureido)-benzamidine 

Relevant articles and documents

Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates

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A general and facile one-pot process of isothiocyanates from amines under aqueous conditions

A general and facile one-pot protocol for the preparation of a broad range of alkyl and aryl isothiocyanates has been developed from their corresponding primary amines under aqueous conditions. This synthetic process involves an in situ generation of a dithiocarbamate salt from the amine substrate by reacting with CS2 followed by elimination to form the isothiocyanate product with cyanuric acid as the desulfurylation reagent. The choice of solvent is of decisive importance for the successful formation of the dithiocarbamate salt particularly for highly electron-deficient substrates. This novel and economical method is suitable for scale-up activities.

A facile and new approach to synthesize 2-amino-4-(4-amoinophenyl)-1H-1,3- diazol-1-yl-alkylaminomethanethiones

An "intellectual connection" approach to design a facile and new synthesis of suitably substituted 2-aminoimidazole-based precursors of expected anti-asthmatic agents through a benzidine type of rearrangement of 2-phenylazoimidazole and subsequent coupling of the product thus obtained with alkylisothiocyanates involving a degenerative operation, thereby improving the time frame of the overall synthetic sequence, is reported. The alkylisothiocyanates required in this synthetic sequence are prepared using a best combination of reported methods. The compounds reported here can be used to produce derivatives of other biological agents. Birkhaeuser 2007.