3939-09-1

Basic information

• Product Name: 2,4-Difluorobenzonitrile
• Synonyms: 2,4-DIFLUOROBENZONITRILE;2,4-difluorobenzonilyile;2，4-difluorobenzotrile;2,4-Difluorobenzonitrile,98%;2,4-Difluorobenzonitrile 98%;2,4-Difluorobenzenecarbonitrile;2,4-DIFLUOROBENZONITRILE 97+%;CASNO: 3939-9-1
• CAS NO: 3939-09-1
• Molecular Formula: C₇H₃F₂N
• Molecular Weight: 139.1
• EINECS: 223-523-8
• Product Categories: Fluorobenzene Series;Boron, Nitrile, Thio,& TM-Cpds;Aromatic Nitriles;Nitrile;Fluorine Compounds;Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 3939-09-1.mol
• Article Data: 15

Chemical Properties

• Melting Point: 47-49 °C(lit.)
• Boiling Point: 189°C
• Flash Point: >230 °F
• Appearance: /Crystalline
• Density: 1.246
• Vapor Pressure: 0.845mmHg at 25°C
• Refractive Index: 1.486
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• BRN: 1940316
• CAS DataBase Reference: 2,4-Difluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Difluorobenzonitrile(3939-09-1)
• EPA Substance Registry System: 2,4-Difluorobenzonitrile(3939-09-1)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36/37/39-36/37
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 3939-09-1(Hazardous Substances Data)

Usage

Chemical Properties

white crystalline solid

Uses

2,4-Difluorobenzonitrile has been used in the synthesis of:2-methylsulfonyl-4-fluorobenzylaminefluoro-3-amino-1,2-benzisoxazoles

General Description

2,4-Difluorobenzonitrile undergoes polycondensation with Bisphenol A and matrix-assisted laser desorption/time-of-flight mass spectra revealed a quantitative formation of cyclic oligoethers and polyethers.

InChI:InChI=1/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

Upstream product

• 348-57-2 2,4-difluorobromobenzene 
• 135205-66-2 N?cyanosuccinimide 
• 144025-03-6 2,4-difluorophenylboronic acid 
• 96606-37-0 2,4,6-trifluorobenzonitrile 
• 56456-47-4 2,4-difluorobenzyl alcohol 
• 85118-02-1 2,4-difluorobenzamide 
• 72482-64-5 2,4-difluorobenzoyl chloride 
• 1583-58-0 2,4-difluoro-benzoic acid 
• 773837-37-9 sodium cyanide 
• 2265-93-2 2,4-difluoro-1-iodobenzene 
• 367-25-9 2,4-difluorophenylamine 
• 1435-44-5 1-chloro-2,4-difluorobenzene 
• 557-21-1 dicyanozinc 
• 151-50-8 potassium cyanide 

Downstream Products

• 119584-78-0 2,4-diamino-7-fluoroquinazoline 
• 67152-20-9 2,4-difluoro-5-nitrobenzonitrile 
• 189439-55-2 methyl 3-amino-6-methoxy-1-benzo[b]thiophene-2-carboxylate 
• 177995-38-9 6-fluoro-3-amino-1,2-benzisoxazole 
• 733754-32-0 3-[(2,4-difluoro-benzimidoyl)-amino]4-methoxy-benzoic acid methyl ester 
• 908117-06-6 2-(2,3-dihydroxypropylamino)-4-fluorobenzonitrile 
• 1022900-39-5 C₁₆H₁₈F₂N₂O₅ 
• 1535187-00-8 C₂₀H₁₉FN₄O 
• 1535187-25-7 C₂₀H₁₉FN₄O 
• 1535187-02-0 C₂₀H₁₈FN₃O 
• 1535187-27-9 C₂₀H₁₈FN₃O 
• 1535186-88-9 C₁₉H₁₃FN₄S 
• 1535187-14-4 C₁₉H₁₃FN₄S 
• 1535186-90-3 C₂₀H₁₄FN₃O 

Relevant articles and documents

Development and Molecular Understanding of a Pd-Catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

A synthetic method for the palladium-catalyzed cyanation of aryl boronic acids using bench stable and non-toxic N-cyanosuccinimide has been developed. High-throughput experimentation facilitated the screen of 90 different ligands and the resultant statistical data analysis identified that ligand σ-donation, π-acidity and sterics are key drivers that govern yield. Categorization into three ligand groups – monophosphines, bisphosphines and miscellaneous – was performed before the analysis. For the monophosphines, the yield of the reaction increases for strong σ-donating, weak π-accepting ligands, with flexible pendant substituents. For the bisphosphines, the yield predominantly correlates with ligand lability. The applicability of the designed reaction to a wider substrate scope was investigated, showing good functional group tolerance in particular with boronic acids bearing electron-withdrawing substituents. This work outlines the development of a novel reaction, coupled with a fast and efficient workflow to gain understanding of the optimal ligand properties for the design of improved palladium cross-coupling catalysts.

Metal-free HNO3/TEMPO-catalyzed conversion of benzyl alcohols to aromatic nitriles with oxygen molecule as the terminal oxidant

A non-metal catalytic method for the aerobic conversion of primary alcohols to aromatic nitriles via a single-step operation was developed. A series of primary benzyl alcohols underwent this transformation to give the targeted products in moderate to high yields under the catalysis of TEMPO/ HNO3.

A 4, 6 - double-halogenated isophthalonitrile preparation method (by machine translation)

The present invention relates to the technical field of the synthesis of pharmaceutical intermediates, in particular to a 4, 6 - double-halogenated isophthalonitrile preparation method, through the use of cheap and easily obtained 2, 4 - double-halo benzoic acid as the raw material, the reaction of the halide, the amidation reaction, dehydration reaction, the nitration reaction, reduction reaction, the diazotization reaction, the substitution reaction for the synthesis of 4, 6 - double-halogenated isophthalonitrile; the total yield can be 21.5%. The process route is easily obtained and cheap materials, few by-products, the purification treatment is the process is simple, easy to realize industrial production. (by machine translation)