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Phenyl cyanoacetate, also known as cyanoacetic acid phenyl ester, is a chemical compound with the molecular formula C10H9NO2. It is a colorless to pale yellow liquid that is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Phenyl cyanoacetate is known for its ability to act as a nucleophile and undergo various reactions, including Michael addition, Knoevenagel condensation, and Wittig reaction. It is also a versatile building block in organic chemistry, as it can be easily functionalized to introduce different substituents and create diverse compounds. Overall, phenyl cyanoacetate is a valuable chemical with various applications in the production of complex molecules.

6131-48-2

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6131-48-2 Usage

Uses

Used in Pharmaceutical Industry:
Phenyl cyanoacetate is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its reactivity and ability to undergo different reactions make it a valuable component in the development of new drugs and medications.
Used in Agrochemical Industry:
Phenyl cyanoacetate is used as a building block in the production of agrochemicals, such as pesticides and herbicides. Its versatility in organic chemistry allows for the creation of compounds with specific properties tailored for agricultural applications.
Used in Organic Chemistry Research:
Phenyl cyanoacetate is used as a versatile building block in organic chemistry research. Its ability to act as a nucleophile and undergo various reactions, such as Michael addition, Knoevenagel condensation, and Wittig reaction, makes it an essential component in the synthesis of complex molecules and the exploration of new chemical pathways.

Check Digit Verification of cas no

The CAS Registry Mumber 6131-48-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,3 and 1 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 6131-48:
(6*6)+(5*1)+(4*3)+(3*1)+(2*4)+(1*8)=72
72 % 10 = 2
So 6131-48-2 is a valid CAS Registry Number.
InChI:InChI=1/C18H16F2N2O3S/c19-10-3-4-11(12(20)6-10)13-7-26-18(21-13)22-16(23)14-8-1-2-9(5-8)15(14)17(24)25/h3-4,6-9,14-15H,1-2,5H2,(H,24,25)(H,21,22,23)

6131-48-2SDS

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 Phenyl cyanoacetate

1.2 Other means of identification

Product number -
Other names -

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:6131-48-2 SDS

6131-48-2Relevant academic research and scientific papers

Endohedral dynamics of push-pull rotor-functionalized cages

Krick, Marcel,Holstein, Julian,Würtele, Christian,Clever, Guido H.

supporting information, p. 10411 - 10414 (2016/09/02)

A series of [Pd2L4] coordination cages featuring endohedral functionalities in central backbone positions was synthesized. Although attached via CC double bonds, the substituents behave as molecular rotors. This is explained by their pronounced donor-acceptor character which lowers rotational barriers and allows for electronic control over the spinning rates inside the cage. The dynamic behaviour of the free ligands, assembled cages and host-guest complexes is compared with the aid of NMR experiments, X-ray structure analysis and molecular modelling.

The Influence of Electron Delocalization on the Rate Constants for Competing BAc2 and E1cb Ester Hydrolyses

Inoue, Masashi,Bruice, Thomas C.

, p. 884 - 886 (2007/10/02)

The influence of electron-pair delocalization and leaving-group basicity upon the (E1cb)anion and (BAc2)anion mechanisms of ester hydrolysis are discussed.

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