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5-CYANO-2-FLUOROBENZALDEHYDE is a chemical compound characterized by the molecular formula C8H5FNO. It presents as a pale yellow to light brown liquid and is predominantly utilized in the synthesis of pharmaceuticals and agrochemicals. Additionally, it serves as an intermediate in the production of various other organic chemicals. Due to its potential hazards upon ingestion, inhalation, or skin contact, it is crucial to handle 5-CYANO-2-FLUOROBENZALDEHYDE with appropriate safety measures and protective equipment.

146137-79-3

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146137-79-3 Usage

Uses

Used in Pharmaceutical Industry:
5-CYANO-2-FLUOROBENZALDEHYDE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 5-CYANO-2-FLUOROBENZALDEHYDE is employed as a precursor in the production of agrochemicals, which are essential for enhancing crop protection and yield.
Used in Organic Chemicals Production:
5-CYANO-2-FLUOROBENZALDEHYDE is utilized as an intermediate in the synthesis of a range of organic chemicals, highlighting its versatility and importance in the chemical industry for creating diverse chemical compounds with various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 146137-79-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,6,1,3 and 7 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 146137-79:
(8*1)+(7*4)+(6*6)+(5*1)+(4*3)+(3*7)+(2*7)+(1*9)=133
133 % 10 = 3
So 146137-79-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H

146137-79-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Fluoro-3-formylbenzonitrile

1.2 Other means of identification

Product number -
Other names 4-fluoro-3-formylbenzonitrile

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:146137-79-3 SDS

146137-79-3Relevant academic research and scientific papers

Synthesis of 5-cyanoindazole and 1-methyl and 1-aryl-5-cyanoindazoles

Halley, Frank,Sava, Xavier

, p. 1199 - 1207 (1997)

5-Cyanoindazoles are conveniently prepared in two to three steps from commercially available 5-bromo-2-fluorobenzaldehyde.

Selective Metalation and Functionalization of Fluorinated Nitriles Using 2,2,6,6-Tetramethylpiperidyl Bases

Dos Santos, Thiago,Orenha, Henrique P.,Murie, Valter E.,Vessecchi, Ricardo,Clososki, Giuliano C.

supporting information, p. 7396 - 7400 (2021/10/01)

We have accomplished regioselective deprotometalation of aromatic and heteroaromatic nitriles via (TMP)2Zn·2MgCl2·2LiCl and TMPMgCl·LiCl (TMP = 2,2,6,6-tetramethylpiperidyl) with the exploration of new and scarcely investigated metalation positions. Regio

A 3 - ethyl -4 - fluoro phenyl nitrile of preparation method (by machine translation)

-

Paragraph 0008; 0009, (2019/01/08)

The invention discloses a 3 - ethyl - 4 - fluoro phenyl nitrile of preparation method, the method to the fluoro phenyl nitrile as the starting material, through the hydroformylation, Wittig reaction, obtaining the catalytic hydrogenation. (by machine tran

CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS

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Page/Page column 63, (2013/04/25)

The present invention is directed to novel catechol diether compounds, pharmaceutical compositions therefrom and methods for inhibiting reverse transcriptase and treating HIV infections, especially included drug resistant strains of HIV 1 and 2 and/or sec

Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents

Bollini, Mariela,Domaoal, Robert A.,Thakur, Vinay V.,Gallardo-Macias, Ricardo,Spasov, Krasimir A.,Anderson, Karen S.,Jorgensen, William L.

supporting information; experimental part, p. 8582 - 8591 (2012/02/02)

A 5-μM docking hit has been optimized to an extraordinarily potent (55 pM) non-nucleoside inhibitor of HIV reverse transcriptase. Use of free energy perturbation (FEP) calculations to predict relative free energies of binding aided the optimizations by identifying optimal substitution patterns for phenyl rings and a linker. The most potent resultant catechol diethers feature terminal uracil and cyanovinylphenyl groups. A halogen bond with Pro95 likely contributes to the extreme potency of compound 42. In addition, several examples are provided illustrating failures of attempted grafting of a substructure from a very active compound onto a seemingly related scaffold to improve its activity. (Figure presented)

HETERO COMPOUND

-

Page/Page column 30-31, (2009/01/24)

[Problems] To provide a useful compound as an active ingredient for a preventing and/or treating agent for rejection in the transplantation of an organ, bone marrow, or a tissue, an autoimmune disease, or the like, which has an excellent S1P1 a

Indazole compounds, compositions thereof and methods of treatment therewith

-

, (2008/06/13)

This invention is generally directed to the use of Indazole Compounds for treating or preventing diseases associated with protein kinases, including tyrosine kinases, such as proliferative diseases, inflammatory diseases, abnormal angiogenesis and diseases related thereto, atherosclerosis, macular degeneration, diabetes, obesity, pain and others. The methods comprise the administration to a patient in need thereof of an effective amount of an indazole compound that inhibits, modulates or regulates tyrosine kinase signal transduction. Novel indazole compounds or pharmaceutically acceptable salt thereof are presented herein.

Methods for treating an inflammatory condition or inhibiting JNK

-

, (2008/06/13)

This invention is generally directed to Indazole Derivatives having the following structure: 1 or pharmaceutically acceptable salt thereof, wherein R1, R2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of diseases and disorders that are responsive to JNK inhibition, such as an inflammatory disease or disorder. Thus, methods of treating such diseases and disorders are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

Thrombin inhibitors

-

, (2008/06/13)

Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, wherein b is NY or O; c is CY2or N; d is CY3or N; e is CY4or N; f is CY5or N; g is CY6or N; Y4, Y5, and Y6are independently hydrogen, C1-4alkyl, or halogen; Y1and Y2are independently hydrogen, C1-4alkyl, C3-7cycloalkyl, halogen, NH2, OH or C1-4alkoxy, and Y3is hydrogen, C1-4alkyl, C3-7cycloalkyl, halogen, —CN, NH2, OH or C1-4alkoxy; A is and W, W1, R1, R3, R4, R5, X and Z are defined in the specification.

Design, synthesis and structure-activity relationships of benzoxazinone-based factor Xa inhibitors

Huang, Wenrong,Zhang, Penglie,Zuckett, Jingmei F.,Wang, Lingyan,Woolfrey, John,Song, Yonghong,Jia, Zhaozhong J.,Clizbe, Lane A.,Su, Ting,Tran, Katherine,Huang, Brian,Wong, Paul,Sinha, Uma,Park, Gary,Reed, Andrea,Malinowski, John,Hollenbach, Stanley J.,Scarborough, Robert M.,Zhu, Bing-Yan

, p. 561 - 566 (2007/10/03)

A series of benzoxazinone derivatives was designed and synthesized as factor Xa inhibitors. We demonstrated that the naphthyl moiety in the aniline-based compounds 1 and 2 can be replaced with benzene-fused heterobicycles and biaryls to give factor Xa inh

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