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1H-Pyrrole-3-carbonitrile, 5-acetyl- (9CI) is a chemical compound with the molecular formula C7H5N2O. It is a derivative of pyrrole, a heterocyclic aromatic organic compound consisting of a five-membered ring with one nitrogen atom and four carbon atoms. In this specific compound, the 5-position of the pyrrole ring is substituted with an acetyl group (CH3CO-), and the 3-position is substituted with a nitrile group (-CN). This molecule is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals, as well as a building block for the development of new materials with unique properties. Its chemical structure and reactivity make it a valuable component in organic synthesis, particularly in the preparation of complex molecules with potential applications in various industries.

80242-22-4

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80242-22-4 Usage

Chemical structure

A pyrrole ring with a carbonitrile group at the 3-position and an acetyl group at the 5-position

Physical state

Pale yellow solid at room temperature

Use

Building block in chemical synthesis, used in the production of pharmaceuticals, agrochemicals, and other fine chemicals

Unique property

The presence of the acetyl group attached to the pyrrole ring gives 1H-Pyrrole-3-carbonitrile, 5-acetyl- (9CI) unique properties and makes it a valuable intermediate in the synthesis of various organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 80242-22-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,2,4 and 2 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 80242-22:
(7*8)+(6*0)+(5*2)+(4*4)+(3*2)+(2*2)+(1*2)=94
94 % 10 = 4
So 80242-22-4 is a valid CAS Registry Number.

80242-22-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-acetylpyrrole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-acetyl-1H-pyrrole-3-carbonitrile

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:80242-22-4 SDS

80242-22-4Downstream Products

80242-22-4Relevant academic research and scientific papers

Indolinone derivatives and their use in treating disease-states such as cancer

-

Page/Page column 30, (2010/02/11)

Indolinone derivatives, such as compounds of the formula (I): wherein A, m, n, R1, R2, R3, R5 and R6 are described herein, are disclosed herein as being useful in treating mammal having disease-states alleviated by the inhibition of PDK-1 activity.

Pyrrole chemistry. XXIII. The cyanation of substituted pyrroles with chlorosulfonyl isocyanate (CSI). New syntheses of pyrrole-3-carbonitriles

Loader, Charles E.,Anderson, Hugh J.

, p. 2673 - 2676 (2007/10/02)

Chlorosulfonyl isocyanate (CSI) reacts not only with pyrrole itself but with pyrroles having powerful electron-withdrawing groups in the 2-position.Suitable choice of electron-withdrawing groups allows selective 4-substitution of the pyrrole ring.The N-chlorosulfonyl amides formed are readily converted to the corresponding nitriles.The procedure has been used to provide syntheses of pyrrole-3-carbonitrile and its 1-methyl homologue.

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