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3-Fluoro-4-hydroxybenzonitrile is an organic compound with the chemical formula C7H4FNO. It is a derivative of benzonitrile, featuring a fluorine atom at the 3-position and a hydroxyl group at the 4-position. This molecule is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure. It is a colorless solid that is sensitive to light and moisture, and it is typically stored under controlled conditions to maintain its stability. The compound is also of interest in chemical research for its reactivity and the possibility of functional group transformations, which can lead to the development of new compounds with specific properties.

405-04-9

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405-04-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 405-04-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,0 and 5 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 405-04:
(5*4)+(4*0)+(3*5)+(2*0)+(1*4)=39
39 % 10 = 9
So 405-04-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H4FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

405-04-9 Well-known Company Product Price

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  • Alfa Aesar

  • (H26107)  3-Fluoro-4-hydroxybenzonitrile, 98%   

  • 405-04-9

  • 250mg

  • 436.0CNY

  • Detail
  • Alfa Aesar

  • (H26107)  3-Fluoro-4-hydroxybenzonitrile, 98%   

  • 405-04-9

  • 1g

  • 1209.0CNY

  • Detail

405-04-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Fluoro-4-hydroxybenzonitrile

1.2 Other means of identification

Product number -
Other names 3-Fluoro-4-Hydroxybenzonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:405-04-9 SDS

405-04-9Relevant academic research and scientific papers

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

Egorova, Anna,Ekins, Sean,Jahn, Birgit,Kazakova, Elena,Makarov, Vadim,Schmidtke, Michaela

, (2019/12/28)

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.

A Concise Enantioselective Synthesis of (+)-L-733,060 and (+)-T-2328 via Sequential Proline Catalysis

Lalwani, Komal G.,Sudalai, Arumugam

supporting information, p. 1339 - 1343 (2016/06/01)

A new, sequential proline-catalyzed approach to the synthesis of (+)-L-733,060 and (+)-T-2328 in high optical purity (93% ee) is described starting from phenyl N-Boc imine. The strategy involves proline-catalyzed Mannich reaction of an arylimine with acet

NOVEL ARYLALKENE DERIVATIVES AND USE THEREOF AS SELECTIVE ESTROGEN RECEPTOR MODULATORS

-

Paragraph 0159; 0277, (2013/07/19)

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.

New oxabispidine compounds for the treatment of cardiac arrhythmias

-

Page/Page column 59, (2008/06/13)

There is provided compounds of formula I, wherein R1, R2, R3, R41 to R46, X, Y and Z have meanings given in the description, which compounds are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

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

-

Page/Page column 34, (2010/11/25)

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.

NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS

-

Page/Page column 85-86, (2008/06/13)

There is provided compounds of formula (I), wherein R1, R2, R3, R4, R 41 to R46, A, B and G have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

Elemental fluorine Part 12. Fluorination of 1,4-disubstituted aromatic compounds

Chambers, Richard D.,Hutchinson, John,Sparrowhawk, Matthew E.,Sandford, Graham,Moilliet, John S.,Thomson, Julie

, p. 169 - 173 (2007/10/03)

Direct fluorination of a series of 1,4-disubstituted benzene derivatives in acid reaction media at convenient temperature leads, in many cases, to selectively fluorinated aromatic products in preparatively useful conversions and yields.

1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS

-

, (2008/06/13)

Compounds of the formula wherein: R1 is alkyl, alkoxy, hydroxy, cycloalkyl, hydroxyalkyl, alkoxyalkyl, hydroxyalkoxy, alkylthioalkyl, alkylsulfinylalkyl, alkylsulfonylalkyl, aminoalkyl, alkylaminoalkyl, dialkylaminoalkyl, alkoxycarbonyl, carboxy, or cyanomethyl; Y is alkylene of 3 to 9 carbon atoms, R2 and R3 independently are hydrogen, alkyl, alkoxy, halo, cyano, trifluoromethyl and nitro; R4 is alkoxy, hydroxy, halomethyl, dihalomethyl, trihalomethyl, dihaloethyl, cycloalkyl, heterocyclyl, alkoxycarbonyl, hydroxyalkyl, alkoxyalkyl, alkanecarbonyloxyalkyl, cyano, halo, thioalkyl, alkylthioalkyl, alkylthio, thio, 2,2,2-trifluoro-ethyl, (4-methylphenyl)sulfonyloxymethyl, N=Q or CON=Q, where N=Q is amino, alkylamino or dialkylamino; R5 is hydrogen or halo or alkyl

The Synthesis and Transition Temperatures of Benzoate Ester Derivatives of 2-Fluoro-4-hydroxy- and 3-Fluoro-4-hydroxybenzonitriles

Kelly, Stephen M.

, p. 1572 - 1579 (2007/10/02)

The synthesis and the liquid-crystal temperatures of sixty 4-cyano-2-flurophenyl and 4-cyano-3-fluorophenyl 4-substituted benzoates are described.The nematic-isotropic liquid transition temperatures of most of these novel esters are only marginally lower than those of the corresponding esters containing an H-atom in place of the F-substituent.In several instances, the clearing points of the F-substituted-phenyl esters are higher than those of the non-substituted-phenyl esters.The nematic ranges of several new esters are markedly broader than those of the analogous non-F-susbstituted-phenyl esters.

The Synthesis and Liquid Crystal Properties of Some Laterally Fluorinated trans-Cyclohexane-1-carboxylate and Benzoate Esters

Gray, G. W.,Hogg, C.,Lacey, D.

, p. 1 - 24 (2007/10/02)

A large number of laterally fluorinated 4-n-alkyl- and -alkoxy-phenyl 4'-n-alkyl- and -alkoxy-bezoates and 4-n-alkylphenyl trans-4'-n-alkyl- and -alkoxy-cyclohexane-1-carboxylates were synthesised.In these compounds, the lateral fluoro-substituent was situated in either the phenol or the carboxylic acid moiety of the molecules for the benzoate esters, but only in the phenol moiety for the trans-cyclohexane-1-carboxylate esters.The nematic thermal stabilities for the fluorophenyl bezoate and trans-cyclohexane-1-carboxylate esters and the fluorobenzoate esters were compared with those for the corresponding non-fluorinated analogues.A nematic thermal efficiency order was derived for the 4-n-alkyl-fluorophenyl 4-n-alkylbezoate and trans-4-n-alkylcyclohexane-1-carboxylate esters, but only in the case of the latter esters, which were extensively examined, was the smectic tendency of the system investigated.Explanations are given for the observed nematic and smectic thermal stabilities of the titled esters, and some of their physical properties are discussed.

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