327056-74-6

Basic information

• Product Name: 3-Cyano-5-fluorobenzoic acid
• Synonyms: 3-CYANO-5-FLUOROBENZOIC ACID;Benzoic acid, 3-cyano-5-fluoro- (9CI);3-CYANO-5-FLUOROBENZOIC ACID, 98% MIN.;3-Carboxy-5-fluorobenzonitrile;3-Cyano-5-fluorobenzoic acid 98%
• CAS NO: 327056-74-6
• Molecular Formula: C₈H₄FNO₂
• Molecular Weight: 165.12
• Product Categories: HALIDE;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Fluorine series
• Mol File: 327056-74-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 172-173°C
• Boiling Point: 317°C at 760 mmHg
• Flash Point: 145.5°C
• Appearance: /
• Density: 1.42g/cm³
• Vapor Pressure: 0.000167mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.30±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3-Cyano-5-fluorobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyano-5-fluorobenzoic acid(327056-74-6)
• EPA Substance Registry System: 3-Cyano-5-fluorobenzoic acid(327056-74-6)

Safety Data

• Hazard Codes: T,Xi,Xn
• Statements: 22
• RIDADR: 2811
• HazardClass: IRRITANT, TOXIC
• PackingGroup: Ⅲ
• Hazardous Substances Data: 327056-74-6(Hazardous Substances Data)

Usage

Description

3-Cyano-5-fluorobenzoic acid is an organic compound characterized by the presence of a cyano group (CN) at the 3rd position and a fluorine atom (F) at the 5th position on a benzoic acid backbone. It is a key intermediate in the synthesis of various pharmaceutical compounds due to its unique structural features and reactivity.

Uses

Used in Pharmaceutical Industry:
3-Cyano-5-fluorobenzoic acid is used as a key intermediate for the synthesis of arylbenzamides, which serve as negative allosteric modulators of mGlu5R (metabotropic glutamate receptor 5). These modulators have potential therapeutic applications in the treatment of various neurological and psychiatric disorders, such as schizophrenia, anxiety, and chronic pain, by modulating the activity of mGlu5R.

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

Upstream product

• 327056-72-4 methyl 3-chloro-5-cyanobenzoate 

Downstream Products

• 1064396-14-0 3-cyano-5-fluoro-benzoic acid chloride 
• 453566-69-3 3-(3-(4-dimethylaminobutoxy)-pyrid-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole 
• 453566-73-9 3-(3-(5-dimethylaminopentyloxy)-pyrid-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole 
• 453566-76-2 3-(3-(6-dimethylaminohexyloxy)-pyrid-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole 
• 453566-57-9 3-(5-chloropyrid-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole 
• 453566-31-9 3-(5-tert-butoxycarbonyl-pyridin-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole 
• 886732-29-2 methyl 3-cyano-5-fluorobenzoate 
• 1163141-27-2 ethyl 2-(7-(5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate 
• 1243309-76-3 C₁₂H₈FN₃OS 
• 1243310-02-2 C₁₄H₈ClFN₂O 
• 1146733-64-3 3-fluoro-5-(4-methyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-benzonitrile 
• 1146733-66-5 3-(3,4-dimethyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-5-fluoro-benzonitrile 
• 1042334-03-1 3-cyano-5-fluoro-N-(6-methylpyridin-2-yl)benzamide 
• 1206891-02-2 3-cyano-5-fluoro-N-(6-methylpyridin-2-yl)benzamide hydrochloride 

Relevant articles and documents

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.