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590-42-1

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590-42-1 Usage

Chemical Properties

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID

Uses

tert-Butyl isothiocyanate is a tool for the modification of the pore sizes on the top layer of heterostructured surface mounted metal-organic frameworks.

Synthesis Reference(s)

Tetrahedron Letters, 34, p. 8283, 1993 DOI: 10.1016/S0040-4039(00)61411-9

General Description

Adsorption of tert-butyl isothiocyanate at the Ge (100) surface was studied using multiple internal reflection FTIR spectroscopy, X-ray photoelectron spectroscopy and density functional theory modeling.

Check Digit Verification of cas no

The CAS Registry Mumber 590-42-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 0 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 590-42:
(5*5)+(4*9)+(3*0)+(2*4)+(1*2)=71
71 % 10 = 1
So 590-42-1 is a valid CAS Registry Number.
InChI:InChI=1/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

590-42-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L02668)  tert-Butyl isothiocyanate, 97%   

  • 590-42-1

  • 5g

  • 448.0CNY

  • Detail
  • Alfa Aesar

  • (L02668)  tert-Butyl isothiocyanate, 97%   

  • 590-42-1

  • 25g

  • 1496.0CNY

  • Detail
  • Aldrich

  • (251852)  tert-Butylisothiocyanate  99%

  • 590-42-1

  • 251852-5G

  • 473.85CNY

  • Detail
  • Aldrich

  • (251852)  tert-Butylisothiocyanate  99%

  • 590-42-1

  • 251852-25G

  • 1,579.50CNY

  • Detail

590-42-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 2-isothiocyanato-2-methylpropane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:590-42-1 SDS

590-42-1Relevant articles and documents

A more sustainable isothiocyanate synthesis by amine catalyzed sulfurization of isocyanides with elemental sulfur

Nickisch,Conen,Gabrielsen,Meier

, p. 3134 - 3142 (2021/01/28)

Isothiocyanates (ITCs) are typically prepared using amines and highly toxic reagents such as thiophosgene, its derivatives, or CS2. In this work, an investigation of a multicomponent reaction (MCR) using isocyanides, elemental sulfur and amines revealed that isocyanides can be converted to isothiocyanates using sulfur and catalytic amounts of amine bases, especially DBU (down to 2 mol%). This new catalytic reaction was optimized in terms of sustainability, especially considering benign solvents such as Cyrene or γ-butyrolactone (GBL) under moderate heating (40 °C). Purification by column chromatography was further optimized to generate less waste by maintaining high purity of the product. Thus, E-factors as low as 0.989 were achieved and the versatility of this straightforward procedure was shown by converting 20 different isocyanides under catalytic conditions, while obtaining moderate to high yields (34-95%). This journal is

2-(aryl (azacycloalkane-1-yl) methyl) phenol derivatives and uses thereof

-

Paragraph 0309-0311, (2021/07/24)

The invention discloses 2-(aryl (azacycloalkane-1-yl) methyl) phenol derivatives and application thereof, and belongs to the technical field of medicines. The invention provides a compound shown in a formula I or pharmaceutically acceptable salt thereof. The series of compounds have good inhibitory activity on the histone demethylase KDM4 family in vitro, the median inhibitory concentration (IC50) of most molecules on KDM4D is less than 500 nM, and the compounds have good inhibitory effect on proliferation of various human tumor cell strains in vitro, so that the series of compounds provide a new effective choice for developing targeted histone demethylase KDM4D drugs and preparing drugs for treating and/or preventing cancers and reproductive system diseases, and have good application prospects.

Preparation method of buprofezin

-

Paragraph 0024; 0026; 0027, (2018/10/11)

The invention provides a preparation method of buprofezin, comprising the steps of 1), adding sodium thiocyanate and water into an esterification kettle until dissolution; adding tertiary butanol andhydrochloric acid to obtain a mixed ester; allowing transposition and catalytic reaction to obtain t-butyl isothiocyanate; 2), adding the t-butyl isothiocyanate into chlorobenzene, stirring, dropwiseadding isopropyl amine to obtain 1-isopropyl-3-tert-butylthiourea solution; 3), adding N-methylaniline into chlorobenzene; introducing carbonyl chloride and chlorine gas in sequence to obtain N-chloromethyl-N-benzenecarbamoylchloride solution; 4), adding sodium bicarbonate into water, and adding the resultant into chlorobenzene; adding the 1-isopropyl-3-tert-butylthiourea solution; dropwise addingthe N-chloromethyl-N-benzenecarbamoylchloride solution, filtering, allowing layering, performing high-vacuum steaming to remove the chlorobenzene, crystallizing, centrifuging, and drying to obtain buprofezin. The substitutive average yield of the preparation process of buprofezin reaches 90% and above; the content of finished buprofezin reaches 98.0% and above; the preparation process is free ofammonia nitrogen wastewater.

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