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1-(3-CHLORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE is a chemical compound with the molecular formula C11H13ClO2S2. It is an organic molecule characterized by a propenone (a three-carbon unsaturated ketone) backbone, with a 3-chlorophenyl group attached to the first carbon and two methylsulfonyl groups (-S(O)2CH3) attached to the third carbon. 1-(3-CHLORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE is known for its potential applications in the synthesis of pharmaceuticals and agrochemicals, particularly as an intermediate in the production of certain pesticides. Due to its chemical structure, it may exhibit reactivity with nucleophiles and electrophiles, making it a versatile building block in organic synthesis. However, it is important to handle 1-(3-CHLORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE with care due to its potential toxicity and reactivity.

56944-68-4

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56944-68-4 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

This describes the arrangement of atoms and bonds in the molecule, including the phenyl group, chloro group, propenone moiety, and two methylsulfanyl substituents.

Explanation

It is classified as an organic compound because it contains carbon and hydrogen atoms bonded together.

Explanation

The compound has a phenyl group, which is a six-carbon ring with alternating single and double bonds.

Explanation

The compound has a chloro group (Cl) attached to the phenyl group, which is a halogen atom.

Explanation

The compound has a propenone moiety, which is a three-carbon chain with a carbonyl group (C=O) at one end and a double bond (C=C) between the other two carbons.

Explanation

The compound has two methylsulfanyl (-SCH3) groups attached to the propenone moiety.

Explanation

The compound is used in the synthesis of various pharmaceuticals and agrochemicals, and it may also be used as a chemical intermediate in the production of other organic compounds.

Explanation

The compound may pose health hazards and should be handled and stored with caution due to its potential toxicity.

Explanation

Proper safety measures should be taken when handling and storing 1-(3-CHLORO-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE to minimize the risk of exposure and potential health hazards.

Chemical Structure

1-(3-chloro-phenyl)-3,3-bis-methylsulfanyl-propenone

Organic Compound

Yes

Contains Phenyl Group

Yes

Contains Chloro Group

Yes

Contains Propenone Moiety

Yes

Contains Methylsulfanyl Substituents

Two

Applications

Pharmaceutical and agrochemical synthesis, potential industrial applications as a chemical intermediate

Health Hazards

Potential toxicity

Storage and Handling

Caution required

Check Digit Verification of cas no

The CAS Registry Mumber 56944-68-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,9,4 and 4 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 56944-68:
(7*5)+(6*6)+(5*9)+(4*4)+(3*4)+(2*6)+(1*8)=164
164 % 10 = 4
So 56944-68-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H11ClOS2/c1-14-11(15-2)7-10(13)8-4-3-5-9(12)6-8/h3-7H,1-2H3

56944-68-4SDS

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 1-(3-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

1.2 Other means of identification

Product number -
Other names 3,3-Bis-methylthio-1-m-chlorphenyl-2-propen-1-on

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:56944-68-4 SDS

56944-68-4Downstream Products

56944-68-4Relevant academic research and scientific papers

CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30

-

Page/Page column 126, (2018/04/21)

The present invention relates to cyano-substituted-heterocycles of Formula (I) with activity as inhibitors of deubiquitilating enzymes, in particular, ubiquitin C-terminal hydrolase 30 or ubiquitin specific peptidase 30 (USP30), having utility in a variety of therapeutic areas including cancer and conditions involving mitochondrial dysfunction. (Formula (I))

Bronsted acid catalyzed PhSe transfer versus radical aryl transfer: Linear codimerization of styrenes and internal olefins

Wu, Ping,Wang, Liandi,Wu, Kaikai,Yu, Zhengkun

supporting information, p. 868 - 871 (2015/03/30)

Bronsted acid p-TsOH·H2O-catalyzed hydrovinylation of styrenes with internal olefins α-oxo ketene dithioacetals was efficiently achieved in the presence of N-phenylselenophthalimide (N-PSP), regioselectively affording Markovnikov phenylselenati

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