1009-35-4

Basic information

• Product Name: 4-FLUORO-3-NITROBENZONITRILE
• Synonyms: 4-FLUORO-3-NITROBENZONITRILE;5-Cyano-5-fluoro-1-nitrobenzene;4-Cyano-1-fluoro-2-nitrobenzene;3-Nitro-4-fluorobenzonitrile;Zinc02382636;4-Fluoro-3-nitrobenzonitrile ,97%;5-Cyano-2-fluoronitrobenzene;3-nitro-4-fluorophenyl nitrile
• CAS NO: 1009-35-4
• Molecular Formula: C₇H₃FN₂O₂
• Molecular Weight: 166.11
• EINECS: 213-780-4
• Product Categories: blocks;FluoroCompounds;NitroCompounds;Aromatic Nitriles;Aromatics Compounds;Aromatics;Fluorine series
• Mol File: 1009-35-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: 90.5-91.5°C
• Boiling Point: 277.6 °C at 760 mmHg
• Flash Point: 121.7 °C
• Appearance: White solid
• Density: 1.41 g/cm³
• Vapor Pressure: 0.0031mmHg at 25°C
• Refractive Index: 1.527
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 4-FLUORO-3-NITROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-3-NITROBENZONITRILE(1009-35-4)
• EPA Substance Registry System: 4-FLUORO-3-NITROBENZONITRILE(1009-35-4)

Safety Data

• Hazard Codes: Xi,C
• Statements: 20/21/22-34-36/38
• Safety Statements: 26-36/37/39-45-36/37
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1009-35-4(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 1009-35-4 differently. You can refer to the following data:
1. 4-Fluoro-3-nitrobenzonitrile is a compound useful in organic synthesis.
2. 4-Fluoro-3-nitrobenzonitrile, is used as a pharmaceutical intermediate. It is also used as a synthetic and fine chemical intermediate.

Chemical Properties

Light brown powder

InChI:InChI=1/C10H13FN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

Upstream product

• 939-80-0 4-chloro-3-nitrobenzonitrile 
• 1194-02-1 4-fluorobenzonitrile 
• 42564-51-2 4-fluoro-3-nitrobenzaldehyde 

Downstream Products

• 37507-06-5 Diphenylmethyl-2-nitro-4-cyano-phenolat 
• 90349-18-1 4-(ethylamino)-3-nitrobenzonitrile 
• 1018699-56-3 2-(2-aminobenzoyl)-N-2-nitro-4-cyanophenylethylamine 
• 1106941-07-4 ethyl 3-[(4-cyano-2-nitrophenyl)amino] benzoate 
• 406945-12-8 4-(isopentylamino)-3-nitrobenzonitrile 
• 1155116-42-9 3-amino-4-isopropoxy-benzonitrile 
• 1418756-94-1 ethyl 3,3-diamino-2-(4-cyano-2-nitrophenyl)acrylate 
• 1037834-93-7 1-{1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl}-5-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-1,3-dihydro-2H-benzimidazol-2-one 
• 1037834-92-6 1-{1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl}-5-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-1,3-dihydro-2H-benzimidazol-2-one 
• 1037834-88-0 1-{1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl}-5-(1H-tetrazol-5-yl)-1,3-dihydro-2H-benzimidazol-2-one 
• 1037834-87-9 1-{1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl}-5-(1H-tetrazol-5-yl)-1,3-dihydro-2H-benzimidazol-2-one 
• 911826-10-3 (R)-4-(2,4-dimethoxybenzylamino)-3-(4-(6-fluorochroman-4-ylamino)-5-nitropyrimidin-2-ylamino)benzonitrile 
• 911826-08-9 (R)-4-(2,4-dimethoxybenzylamino)-3-(9-(6,8-difluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-purin-2-ylamino)benzonitrile 
• 911826-07-8 (R)-4-(2,4-dimethoxybenzylamino)-3-(4-(6,8-difluorochroman-4-ylamino)-5-nitropyrimidin-2-ylamino)benzonitrile 

Relevant articles and documents

Unexpected side products in the tetramethylammonium fluoride-dimethylsulphoxide system

Reactions of chloro- and nitro-aromatics with low water content solutions of TMAF in DMSO can lead to complex product mixtures resulting from activation of DMSO by fluoride and the formation of DMSO-derived products. Also, the system has been shown to give hydrolysis products in addition to the well-known ethers and phenols, with carboxylic acids and benzamides being formed from the attempted fluorodenitration of substituted benzonitriles.

Preparation and characterization of a novel silica-KF composite and facile fluorination of aromatic substrates

A novel silica-KF reagent prepared by hydrolyzing tetraethyl orthosilicate in the presence of KF for fluorination of activated aromatic compounds has been reported. The reagent, as characterized by techniques such as SEM-EDX, XRD and IR spectroscopy, is shown to have potassium cations entrapped inside the silica matrix whereas fluoride anions remain on the surface. Reaction of activated chlorinated aromatic substrates with this silica-KF leads to formation of Meisenheimer complex, either in situ or isolable, finally resulting in regioselective fluorinated aromatics.

Ethylammonium nitrate (EAN)/Tf2O and EAN/TFAA: Ionic liquid based systems for aromatic nitration

Acting as in situ sources of triflyl nitrate (TfONO2) and trifluoroacetyl nitrate (CF3COONO2), the EAN/Tf 2O and EAN/TFAA systems, generated via metathesis in the readily available ethylammonium nitrate (EAN) ionic liquid as solvent, are powerful electrophilic nitrating reagents for a wide variety of aromatic and heteroaromatic compounds. Comparative nitration experiments indicate that EAN/Tf2O is superior to EAN/TFAA for nitration of strongly deactivated systems. Both systems exhibit low substrate selectivity (K T/KB = 5-10) in (Figure presented) between values reported for covalent nitrates and preformed nitronium salts.