405-04-9

Basic information

• Product Name: 3-Fluoro-4-hydroxybenzonitrile
• Synonyms: 3-FLUORO-4-HYDROXY-BENZONITRIL;3-FLUORO-4-HYDROXYBENZONITRILE;4-CYANO-2-FLUOROPHENOL;3-FLUORO-4-HYDROXYBENZONITRILE (4-CYANO-2-FLUOROPHENOL);3-Fluoro-6-hydroxybenzonitrile
• CAS NO: 405-04-9
• Molecular Formula: C₇H₄FNO
• Molecular Weight: 137.11
• Product Categories: Aromatic Nitriles;Nitrile;Fluorine Compounds;Nitriles;Phenols;Fluorine series
• Mol File: 405-04-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 133-135°C
• Boiling Point: 253.9 °C at 760 mmHg
• Flash Point: 107.4 °C
• Appearance: /
• Density: 1.35 g/cm³
• Vapor Pressure: 0.0111mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: soluble in Methanol
• PKA: 6.58±0.18(Predicted)
• CAS DataBase Reference: 3-Fluoro-4-hydroxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-4-hydroxybenzonitrile(405-04-9)
• EPA Substance Registry System: 3-Fluoro-4-hydroxybenzonitrile(405-04-9)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-37/39
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 405-04-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H4FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

Upstream product

• 2105-94-4 4-bromo-2-fluorophenol 
• 2357-52-0 3-fluoro-4-methoxyphenyl bromide 
• 458-50-4 1-bromo-2-fluoro-4-methoxybenzene 
• 456-49-5 1-fluoro-3-methoxybenzene 
• 367-12-4 2-fluorophenol 
• 767-00-0 4-cyanophenol 
• 331-62-4 3-fluoro-4-methoxybenzonitrile 
• 557-21-1 zinc(II) cyanide 

Downstream Products

• 1384869-53-7 4-(2-bromoethoxy)-3-fluorobenzoic acid 
• 1384869-54-8 4-(2-bromoethoxy)-3-fluorobenzoyl chloride 
• 1384869-55-9 (4-(2-bromoethoxy)-3-fluorophenyl)(4-methoxyphenyl)methanone 
• 1384869-56-0 (4-(2-bromoethoxy)-3-fluorophenyl)(4-hydroxyphenyl)methanone 
• 1155354-10-1 3-fluoro-4-hydroxybenzamide 
• 1044067-62-0 4-(benzyloxy)-3-fluorobenzonitrile 
• 1141474-51-2 ethyl 4-(4-cyano-2-fluorophenoxy)butanoate 
• 1079053-83-0 isopropyl 4-(4-(4-cyano-2-fluorophenoxy)-6H-pyrimido[5,4-b][1,4]oxazin-8(7H)-yl)piperidine-1-carboxylate 
• 872046-06-5 3-fluoro-4-(3-hydroxy-propoxy)-benzonitrile 
• 872045-88-0 4-(2-bromoethoxy)-3-fluorobenzonitrile 

Relevant articles and documents

Novel pleconaril derivatives: Influence of substituents in the isoxazole and phenyl rings on the antiviral activity against enteroviruses

Today, there are no medicines to treat enterovirus and rhinovirus infections. In the present study, a series of novel pleconaril derivatives with substitutions in the isoxazole and phenyl rings was synthesized and evaluated for their antiviral activity against a panel of pleconaril-sensitive and -resistant enteroviruses. Studies of the structure-activity relationship demonstrate the crucial role of the N,N-dimethylcarbamoyl group in the isoxazole ring for antiviral activity against pleconaril-resistant viruses. In addition, one or two substituents in the phenyl ring directly impact on the spectrum of antienteroviral activity. The 3-(3-methyl-4-(3-(3-N,N-dimethylcarbamoyl-isoxazol-5-yl)propoxy)phenyl)-5-trifluoromethyl-1,2,4-oxadiazole 10g was among the compounds exhibiting the strongest activity against pleconaril-resistant as well as pleconaril-susceptible enteroviruses with IC50 values from 0.02 to 5.25 μM in this series. Compound 10g demonstrated markedly less CYP3A4 induction than pleconaril, was non-mutagenic, and was bioavailable after intragastric administration in mice. These results highlight compound 10g as a promising potential candidate as a broad spectrum enterovirus and rhinovirus inhibitor for further preclinical investigations.

NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS

The invention provides novel ethylene derivatives represented by Formula I, which may be used as selective estrogen receptor modulators (SERMs) and useful in the prophylaxis and/or treatment of estrogen-dependent conditions or conditions.

PROCESS FOR THE PREPARATION OF N,N′- DISUBSTITUTED OXABISPIDINES

There is provided a process for the preparation of a sulfonic acid salt of formula I, or a solvate thereof, which process comprises hydrogenating a sulfonic acid salt of formula II,. or a solvate thereof; in the presence of a solvent system consisting essentially of water, a C3-5 secondary alkyl alcohol and no more than 15% v/v of another organic solvent, wherein the sulfonic acid salt of formula I is optionally, without isolation, converted to a compound of formula IX, or a pharmaceutically-acceptable derivative thereof, wherein R1, R2, R3, R6, R7, R8, A, B and D have meanings given in the description.