85070-67-3

Basic information

• Product Name: 2-Fluoro-4-methylbenzonitrile
• Synonyms: 2-FLUORO-4-METHYLBENZONITRILE;Benzonitrile, 2-fluoro-4-methyl- (9CI);2-Fluoro-4-methylbenzonitrile 98%;2-Fluoro-4-methylbenzonitrile98%;2-Fluoro-4-methylbenzonitirile;2-Fluoro-4-methylben;4-Cyano-3-fluorotoluene;2-Fluoro-4-Methylbenzenecarbonitrile
• CAS NO: 85070-67-3
• Molecular Formula: C₈H₆FN
• Molecular Weight: 135.14
• EINECS: 285-407-3
• Product Categories: Fluorin-contained Benzonitrile series;NITRILE;Miscellaneous;Fluorine series
• Mol File: 85070-67-3.mol
• Article Data: 28

Chemical Properties

• Melting Point: 52-53°C
• Boiling Point: 219.6 °C at 760 mmHg
• Flash Point: 93.3 °C
• Appearance: /
• Density: 1.11 g/cm³
• Vapor Pressure: 0.118mmHg at 25°C
• Refractive Index: 1.507
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water, soluble in chloroform, acetone and other organic solvents.
• CAS DataBase Reference: 2-Fluoro-4-methylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-4-methylbenzonitrile(85070-67-3)
• EPA Substance Registry System: 2-Fluoro-4-methylbenzonitrile(85070-67-3)

Safety Data

• Hazard Codes: T,Xi
• Statements: 37/38-41-36/37/38-20/21/22
• Safety Statements: 26-39-36/37-9
• RIDADR: UN3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 85070-67-3(Hazardous Substances Data)

Usage

Description

2-Fluoro-4-methylbenzonitrile is an organic compound characterized by the presence of a fluorine atom at the 2nd position and a methyl group at the 4th position on a benzene ring, with a nitrile functional group attached. This unique molecular structure endows it with specific chemical properties that make it a valuable intermediate in the synthesis of various pharmaceutical compounds.

Uses

Used in Pharmaceutical Industry:
2-Fluoro-4-methylbenzonitrile is used as a key intermediate in the synthesis of fluorobenzamidrazone thrombin inhibitors. These inhibitors are important for the development of antithrombotic drugs, which are crucial in the treatment and prevention of blood clot-related disorders, such as deep vein thrombosis, pulmonary embolism, and stroke. The presence of the fluorine atom and the nitrile group in 2-Fluoro-4-methylbenzonitrile contributes to the enhanced potency and selectivity of the resulting thrombin inhibitors, making it a valuable component in the design and synthesis of novel antithrombotic agents.

InChI:InChI=1/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3

Upstream product

• 452-80-2 2-fluoro-4-methylaniline 
• 452-74-4 4-bromo-3-fluorotoluene 
• 144-55-8 sodium hydrogencarbonate 
• 557-21-1 dicyanozinc 
• 151-50-8 potassium cyanide 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 222978-03-2 4-cyano-3-fluorobenzylbromide 
• 1061518-30-6 C₁₆H₁₅FN₂O₂ 
• 882679-89-2 2-fluoro-3-iodo-4-methylbenzoic acid 
• 909185-87-1 2-fluoro-3-iodo-4-methylbenzaldehyde 
• 1067904-88-4 (2-fluoro-3-iodo-4-methylphenyl)methanol 
• 909185-89-3 N-cyclopropyl-2-fluoro-N'-hydroxy-3-iodo-4-methylbenzamidine 
• 1268351-46-7 2-fluoro-3-iodo-4-methylbenzaldehyde oxime 
• 1255207-55-6 2-fluoro-4-oxiran-2-ylbenzonitrile 
• 942282-42-0 2-fluoro-4-(2-hydroxyethyl)benzonitrile 
• 1255207-56-7 2-(4-cyano-3-fluorophenyl)ethyl methanesulfonate 
• 433939-83-4 4-ethenyl-2-fluorobenzonitrile 
• 355126-33-9 1-(3-chlorophenyl)-4-[1-(4-cyano-3-fluorobenzyl)-5-imidazolylmethyl]-2-piperazinone 
• 360561-47-3 5-(acetoxymethyl)-1-(4-cyano-3-fluorobenzyl)-imidazole 

Relevant articles and documents

New 7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives

This invention is directed to new inhibitors of the p38 mitogen-activated protein kinase having the general formula (I), to pharmaceutical compositions comprising them, and to their use in therapy.

NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE

The present invention comprises a new class of compounds capable of modulating Raf kinase and, accordingly, useful for treatment of Raf kinase mediated diseases, including melanomas, tumors and other cancer-related conditions. The compounds have Formula (I) wherein R1 is Formula (II), (III) or (IV) and A1, A2, A3, A4, X, Z, Z', R1, R2, R3, R4, R5 and R6 are defined herein. The invention further comprises pharmaceutical compositions, methods for treatment of Raf kinase mediated diseases, and intermediates and processes useful for the preparation of compounds of the invention.

A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: Effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions

The H-atoms of the phenylamidinium needle of tricyclic thrombin inhibitors, which interacts with Asp189 at the bottom of the selectivity pocket S1 of the enzyme, were systematically exchanged with F-atoms in an attempt to improve the pharmacokinetic prope