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2-Butanone, 4-isothiocyanato-, also known as 4-isothiocyanato-2-butanone or simply 4-isothiocyanatobutanal, is an organic compound with the chemical formula C5H7NS. It is a colorless to pale yellow liquid with a pungent odor. 2-Butanone, 4-isothiocyanato- is primarily used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is also known for its potential use as a flavoring agent and a precursor in the production of certain dyes. Due to its reactivity, it is important to handle 2-butanone, 4-isothiocyanato- with care, as it can be harmful if inhaled, ingested, or absorbed through the skin.

4868-43-3

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4868-43-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4868-43-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,8,6 and 8 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4868-43:
(6*4)+(5*8)+(4*6)+(3*8)+(2*4)+(1*3)=123
123 % 10 = 3
So 4868-43-3 is a valid CAS Registry Number.

4868-43-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-isothiocyanatobutan-2-one

1.2 Other means of identification

Product number -
Other names 1-isothiocyanato-3-butanone

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:4868-43-3 SDS

4868-43-3Relevant academic research and scientific papers

A selective synthesis of β-isothiocyanato ketones through a Staudinger/aza-Wittig reaction of β-azido ketones

Fesenko, Anastasia A.,Dem'Yachenko, Ekaterina A.,Fedorova, Galina A.,Shutalev, Anatoly D.

, p. 351 - 359 (2013)

A novel selective two-step synthesis of β-isothiocyanato ketones from α,β-unsaturated ketones has been developed. The synthesis includes preparation of β-azido ketones followed by reaction with triphenylphosphine and carbon disulfide. Treatment of the obtained β-isothiocyanato ketones with ammonia or methylamine gives corresponding hexahydro-4-hydroxypyrimidine-2- thiones. The latter are also prepared directly from β-azido ketones without isolation of the intermediate β-isothiocyanato ketones.

FORMATION OF ISOMERIC β-ISOTHIOCYANATO AND β-THIOCYANATO CARBONYL COMPOUNDS IN THE REACTION OF THIOCYANIC ACID WITH α,β-UNSATURATED ALDEHYDES AND KETONES

Peretokin, A. V.,Shutalev, A. D.,Chupin, V. V.,Mergenova, A. M.,Ignatova, L. A.,et al.

, p. 912 - 918 (2007/10/02)

The structure of the products from the reaction of α,β-unsaturated aldehydes and ketones with thiocyanic acid was established by IR and 1H and 13C NMR spectroscopy.It was shown that the addition temperature and the structure of the obtained product depend on the structures of the initial compounds.It was established that the reactions of α,β-unsaturated aldehydes and ketones not containing methyl substituents at the Cβ carbon atom lead to the formation of isomeric β-isothiocyanato and β-thiocyanato carbonyl compounds, whereas the β-isothionato derivatives are formed exclusively in the case of t he β-methyl- and β,β-dimethyl substituted α,β-unsaturated aldehydes and ketones.

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