53312-81-5

Basic information

• Product Name: 5-Amino-2-fluorobenzonitrile
• Synonyms: 3-CYANO-4-FLUOROANILINE HYDROCHLORIDE;3-Cyano-4-fluoroniline;4-Fluoro-3-cyanoaniline;5-Amino-2-fluorobenzonitrile 98%;5-Amino-2-fluorobenzonitrile98%;2-FLUORO-5-AMINOBENZONITRILE 98.5%;3-Cyano-4-fluoroaniline;5-Amino-2-fluorobenzonitrile
• CAS NO: 53312-81-5
• Molecular Formula: C₇H₅FN₂
• Molecular Weight: 172.59
• EINECS: 200-002-4
• Product Categories: Aromatic Nitriles;Nitrile;API intermediates;Miscellaneous;Fluorine series
• Mol File: 53312-81-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 92-96 °C(lit.)
• Boiling Point: 294.5 °C at 760 mmHg
• Flash Point: 131.9 °C
• Appearance: /
• Density: 1.25 g/cm³
• Vapor Pressure: 0.0118mmHg at 25°C
• Refractive Index: 1.445
• Storage Temp.: 2-8°C
• PKA: 2.85±0.10(Predicted)
• CAS DataBase Reference: 5-Amino-2-fluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-2-fluorobenzonitrile(53312-81-5)
• EPA Substance Registry System: 5-Amino-2-fluorobenzonitrile(53312-81-5)

Safety Data

• Hazard Codes: Xi,T
• Statements: 38-41
• Safety Statements: 26-39
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 53312-81-5(Hazardous Substances Data)

Usage

Uses

5-Amino-2-fluorobenzonitrile is a useful research chemical.

Chemical Properties

White solid

InChI:InChI=1/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)

Upstream product

• 16588-02-6 4-chloro-3-cyanonitrobenzene 
• 518990-00-6 C₇H₃BrFNZn 
• 64248-64-2 2,5-difluorobenzonitrile 
• 21663-61-6 2,5-dichlorobenzonitrile 

Downstream Products

• 134811-49-7 diethyl 3-cyano-4-fluoroanilinomethylenemalonate 
• 218301-76-9 N-(3-cyano-4-fluoro-phenyl)-oxalamic acid ethyl ester 
• 903556-33-2 C₁₅H₁₁FN₂O₂ 
• 1159997-21-3 (R)-N-(3-cyano-4-fluorophenyl)-1-(4-(trifluoromethyl)phenyl)-3,4-dihydro-isoquinoline-2(1H)-carboxamide 
• 134811-74-8 1-Ethyl-6-fluoro-4-oxo-7-(4-phenyl-thiazol-2-yl)-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 
• 134811-84-0 1-Ethyl-6-fluoro-4-oxo-7-(4-phenyl-thiazol-2-yl)-1,4-dihydro-quinoline-3-carboxylic acid 
• 709654-75-1 2-(2,4-diamino-quinazolin-6-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2'-tert-butylsulfamoyl-biphenyl-4-yl)-amide 
• 709655-26-5 N-{2'-[(tert-butylamino)sulfonyl]-1,1'-biphenyl-4-yl}-1-(3-cyano-4-isopropylideneaminooxyphenyl)-3-methyl-1H-pyrazole-5-carboxamide 
• 709654-64-8 1-(3-amino-1H-indazol-5-yl)-N-{2'-[(tert-butylamino)sulfonyl]-1,1'-biphenyl-4-yl}-3-methyl-1H-pyrazole-5-carboxamide 
• 709654-76-2 2-(4-amino-quinazolin-6-yl)-5-methyl-2H-pyrazole-3-carboxylic acid (2'-tert-butylsulfamoyl-biphenyl-4-yl)-amide 
• 209959-22-8 2-(3-cyano-4-fluoro-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid (2'-tert-butylsulfamoyl-biphenyl-4-yl)-amide 
• 218297-95-1 1-(3'-aminobenzisoxazol-5'-yl)-3-methyl-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]pyrazole 
• 209959-21-7 Ethyl [1-(3-cyano-4-fluoro)phenyl]-3-methylpyrazole-5-carboxylate 
• 280118-23-2 1-(3-amino-benzo[d]isoxazol-5-yl)-6-[2'-(3-hydroxy-pyrrolidin-1-ylmethyl)-biphenyl-4-yl]-3-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[3,4-c]pyridin-7-one 

Relevant articles and documents

AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS

In one aspect, the present disclosure provides methods of preparing a primary or secondary amine and hydroxylated aromatic compounds. In some embodiments, the aromatic compound may be unsubstituted, substituted, or contain one or more heteroatoms within the rings of the aromatic compound. The methods described herein may be carried out without the need for transition metal catalysts or harsh reaction conditions.

Synthesis of 2-fluoro-5-polybromide method of terephthalic acid

The invention discloses a method for synthesizing 2-fluoro-5-bromoterephthalic acid, which comprises the following steps: dissolving 2,5-dichlorobenzonitrile and dry potassium fluoride in sulfolane, and heating to react to obtain 2,5-difluorobenzonitrile (the purity is 99%); adding a new sulfolane solution, and introducing chlorine for 2 hours to obtain 6-amino-2-fluorobenzonitrile; carrying out diazotization treatment, adding acrylonitrile and hydrobromic acid, heating to react, and extracting with ethyl acetate for dilution to obtain 2-fluoro-5-bromo-p-benzonitrile; and finally, carrying out hydrolysis on the 2-fluoro-5-bromo-p-benzonitrile in a dilute sulfuric acid water solution for 8 hours, and extracting with ethyl acetate to obtain 15.44g of 2-fluoro-5-bromoterephthalic acid, wherein the yield is 83.99% above.

Preparation of fluorinated anilines

Fluorinated anilines, especially p-fluoroaniline and 2,4-difluoroaniline, are prepared by treating aromatic azides with anhydrous hydrogen fluoride. The aromatic azides, in turn, are prepared from the corresponding anilines by treatment with nitrous acid or salt thereof and an alkali metal azide in the presence of a mineral acid, and in an aqueous-nonaqueous, two-phase environment.