171050-06-9

Basic information

• Product Name: 3-Cyano-4-fluorobenzoic acid
• Synonyms: 5-Carboxy-2-fluorobenzonitrile;4-Fluoro-3-cyanobenzoic acid
• CAS NO: 171050-06-9
• Molecular Formula: C₈H₄FNO₂
• Molecular Weight: 165.12
• Product Categories: Fluorine series
• Mol File: 171050-06-9.mol

Chemical Properties

• Melting Point: 187-188 °C
• Boiling Point: 322.4 °C at 760 mmHg
• Flash Point: 148.8 °C
• Appearance: /
• Density: 1.42 g/cm³
• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.58±0.10(Predicted)
• CAS DataBase Reference: 3-Cyano-4-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyano-4-fluorobenzoic acid(171050-06-9)
• EPA Substance Registry System: 3-Cyano-4-fluorobenzoic acid(171050-06-9)

Safety Data

• Hazardous Substances Data: 171050-06-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Cyano-4-fluorobenzoic acid is used as a building block for the development of pharmaceuticals due to its unique chemical structure and properties. It contributes to the synthesis of new drugs and treatments, particularly those with antibacterial and antifungal properties.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Cyano-4-fluorobenzoic acid is utilized as a key intermediate in the synthesis of various agrochemicals. Its presence in these compounds aids in enhancing their effectiveness against bacterial and fungal infections in crops.
Used in Material Science:
3-Cyano-4-fluorobenzoic acid is employed in the production of dyes, pigments, and polymers. Its unique chemical properties allow for the creation of materials with specific characteristics, such as color, stability, and reactivity.
Used in Organic Synthesis:
As a versatile compound, 3-Cyano-4-fluorobenzoic acid is used in organic synthesis for the development of a variety of chemical products. Its presence in these syntheses can lead to the creation of new compounds with potential applications in different industries.

InChI:InChI=1/C8H4FNO2/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H,11,12)

Upstream product

• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 64113-84-4 2-fluoro-5-methylbenzonitrile 
• 201230-82-2 carbon monoxide 
• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 

Downstream Products

• 676602-31-6 3-cyano-4-fluorobenzoic acid methyl ester 
• 171050-10-5 N-[[2-(N-methyl)aminomethyl-4-t-butoxycarbonyl]phenyl]-L-aspartic acid β-methyl ester 
• 171050-09-2 N-[[2-formyl-4-t-butoxycarbonyl]phenyl]-L-aspartic acid β-methyl ester 
• 171050-08-1 N-[[2-cyano-4-t-butoxycarbonyl]phenyl]-L-aspartic acid β-methyl ester 
• 871709-98-7 3-cyano-4-fluoro-N-prop-2-inyl-benzamide 
• 1041481-53-1 N'-phenylacetyl-3-cyano-4-fluorobenzohydrazide 
• 1311255-52-3 3-cyano-4-(4-fluoro-piperidin-1-yl)-benzoic acid 
• 1311232-60-6 5-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(4-fluoro-piperidin-1-yl)-benzonitrile 
• 1311232-61-7 5-[3-(4-fluoro-3-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-5-yl]-2-(4-fluoro-piperidin-1-yl)-benzonitrile 
• 1413608-04-4 C₂₅H₂₆N₄O₃S₂ 
• 1413607-83-6 C₂₆H₂₆N₆OS 

Relevant articles and documents

Novel indazole derivatives, and use thereof

The present invention refers to novel indazole derivatives, or pharmaceutically acceptable salts; and including DYRK1A DYRK1B active ingredient (Dual non-specificity tyrosine phosphorylation in a non-regulated kinase 1a) or a pharmaceutical composition for preventing or treating related disorders are disclosed. (by machine translation)

The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors

Structure based optimization of B39, an indazole-based low micromolar JAK2 virtual screening hit is reported. Analysing the effect of certain modifications on the activity and selectivity of the analogues suggested that these parameters are influenced by

BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS

The described invention provides small molecule anti-cancer compounds for treating tumors that respond to cholesterol biosynthesis inhibition. The compounds selectively inhibit the cholesterol biosynthetic pathway in tumor-derived cancer cells, but do not

SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS

Compounds that selectively modulate the sphingosine 1 phosphate receptor are provided including compounds which modulate subtype 1 of the S1P receptor. Methods of chiral synthesis of such compounds is provided. Uses, methods of treatment or prevention and methods of preparing inventive compositions including inventive compounds are provided in connection with the treatment or prevention of diseases, malconditions, and disorders for which modulation of the sphingosine 1 phosphate receptor is medically indicated.

NOVEL OXADIAZOLE COMPOUNDS

Novel oxadiazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions as agonists or antagonists of the S1P family of G protein-coupled receptors for treating diseases associated with modulation o

PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR

The present invention is directed to piperidinyl and piperazinyl derivatives of formula (I) useful as inhibitors of the NPY Y2 receptor, pharmaceutical compositions comprising said compounds, processes for the preparation of said compounds and the use of

Compounds and methods for F labelled agents

This invention relates to novel compounds suitable for or already radiolabeled with 18F, methods of making such compounds and use of such compounds for diagnostic imaging. Such labeled compounds are characterized by Formula 11, wherein the subs

Thymidine analogs for imaging

The present invention relates to nucleoside analogues and more particularly to labelled nucleoside analogues of formula (I). It has been found new thymidine analogues can be stably labelled with a detectable label moiety. Further the present invention rel

COMPOUNDS AND METHODS FOR 18F LABELED AGENTS

The present invention relates to novel compounds suitable for or already radiolabeled with 18F, methods of making such compounds and use of such compounds for diagnostic imaging. Such labeled compounds are characterized by Formula II, wherein the substituents G, Q, L, Y and U have the meaning as defined in the specification and claims.