1878-82-6

Basic information

• Product Name: (4-CYANO-PHENOXY)-ACETIC ACID
• Synonyms: 2-(4-Cyanophenoxy)acetic acid;(p-Cyanophenoxy)acetic acid
• CAS NO: 1878-82-6
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• Mol File: 1878-82-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 175-178 °C
• Boiling Point: 309.06°C (rough estimate)
• Flash Point: 186.4°C
• Appearance: /
• Density: 1.3312 (rough estimate)
• Vapor Pressure: 1.32E-06mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: pK1: 2.93 (25°C)
• CAS DataBase Reference: (4-CYANO-PHENOXY)-ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (4-CYANO-PHENOXY)-ACETIC ACID(1878-82-6)
• EPA Substance Registry System: (4-CYANO-PHENOXY)-ACETIC ACID(1878-82-6)

Safety Data

• RIDADR: UN2811
• Hazardous Substances Data: 1878-82-6(Hazardous Substances Data)

Usage

General Description

(4-CYANO-PHENOXY)-ACETIC ACID is a chemical compound that belongs to the class of phenoxy acetic acids, which are commonly used in the formulation of herbicides. (4-CYANO-PHENOXY)-ACETIC ACID is characterized by the presence of a cyano group and a phenoxy group, as well as an acetic acid moiety. It is used as an intermediate in the synthesis of various organic compounds and can also act as a building block for the preparation of novel molecules with potential biological activity. Additionally, (4-CYANO-PHENOXY)-ACETIC ACID may have some herbicidal properties due to its structural features, making it a useful tool in agricultural applications. Overall, the chemical shows promise for various industrial and agricultural purposes and may have potential applications in the pharmaceutical industry.

InChI:InChI=1/C9H7NO3/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)/p-1

Upstream product

• 767-00-0 4-cyanophenol 
• 79-11-8 chloroacetic acid 
• 79-08-3 bromoacetic acid 
• 30041-95-3 ethyl (4-cyano-phenoxy)-acetate 
• 147840-05-9 (4-Cyano-phenoxy)-acetic acid tert-butyl ester 

Downstream Products

• 194162-77-1 7-[2-(4-Cyano-phenoxy)-acetylamino]-heptanoic acid tert-butyl ester 
• 289913-79-7 4-(1-methyl-5-nitro-1H-benzoimidazol-2-ylmethoxy)-benzonitrile 
• 289913-80-0 4-(5-amino-1-methyl-1H-benzoimidazol-2-ylmethoxy)-benzonitrile 
• 256493-23-9 [[2-(4-cyano-phenoxymethyl)-1-methyl-1H-benzoimidazol-5-yl]-(quinoline-8-sulfonyl)-amino]-acetic acid ethyl ester 
• 211915-80-9 1-Methyl-2-[(4-cyanophenyl)oxymethyl]-benzimidazol-5-yl-sulfonic acid-N-methyl-N-(1-methyl-piperidin-4-yl)-amide 
• 211915-58-1 1,5-Dimethyl-2-[(4-cyanophenyl)oxymethyl]-imidazo[4,5-b]-pyridine 
• 1541988-03-7 N-(2-amino-6-chloropyridin-3-yl)-2-(4-cyanophenoxy)acetamide 
• 1541988-05-9 N-[2-amino-6-(4-cyanophenyl)pyridin-3-yl]-2-(4-cyanophenoxy)acetamide 
• 1541988-06-0 4-[2-[(4-cyanophenoxy)methyl]-3H-imidazo[4,5-b]pyridin-5-yl]benzonitrile 
• 1541988-19-5 4-[(5-chloro-3H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-22-0 4-[(5-chloro-3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-65-1 4-[(5-chloro-1-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-24-2 4-[2-[(4-cyanophenoxy)methyl]-3-methyl-3H-imidazo[4,5-b]-pyridin-5-yl]benzonitrile 
• 1541987-89-6 N-[2-amino-6-[(4-cyanobenzyl)oxy]pyridin-3-yl]-2-(4-cyanophenoxy)acetamide 

Relevant articles and documents

Synthesis and evaluation of 1,4-naphthoquinone ether derivatives as SmTGR inhibitors and new anti-schistosomal drugs

Investigations regarding the chemistry and mechanism of action of 2-methyl-1,4-naphthoquinone (or menadione) derivatives revealed 3-phenoxymethyl menadiones as a novel anti-schistosomal chemical series. These newly synthesized compounds (1-7) and their di

Design, synthesis and molecular docking of amide and urea derivatives as Escherichia coli PDHc-E1 inhibitors

By targeting the ThDP binding site of Escherichia coli PDHc-E1, two new 'open-chain' classes of E. coli PDHc-E1 inhibitors, amide and urea derivatives, were designed, synthesized, and evaluated. The amide derivatives of compound 6d, with 4-NO2 in the benzene ring, showed the most potent inhibition of E. coli PDHc-E1. The urea derivatives displayed more potent inhibitory activity than the corresponding amide derivatives with the same substituent. Molecular docking studies confirmed that the urea derivatives have more potency due to the two hydrogen bonds formed by two NH of urea with Glu522. The docking results also indicate it might help us to design more efficient PDHc-E1 inhibitors that could interact with Glu522.

Use of conformationally restricted benzamidines as arginine surrogates in the design of platelet GPIIb-IIIa receptor antagonists

The use of 5,6-bicyclic amidines as arginine surrogates in the design of a novel class of potent platelet glycoprotein IIb-IIIa receptor (GPIIb-IIIa) antagonists is described. The additional conformational restriction offered by the bicyclic nucleus results in 20-400-fold increases in potency compared to the freely flexible, acyclic benzamidine counterpart. The design, synthesis, structure-activity relationships (SAR), and in vitro activity of this novel class of GPIIb-IIIa antagonists are presented.