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4-(benzyloxy)-2-fluorobenzonitrile is a chemical compound characterized by the molecular formula C14H10FNO. It is an organic compound that features a benzene ring with a benzyloxy group and a fluorine atom substitution, along with a nitrile functional group. 4-(benzyloxy)-2-fluorobenzonitrile is recognized for its potential applications in various fields due to its unique structural features.

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  • 185836-35-5 Structure
  • Basic information

    1. Product Name: 4-(benzyloxy)-2-fluorobenzonitrile
    2. Synonyms: 4-(benzyloxy)-2-fluorobenzonitrile
    3. CAS NO:185836-35-5
    4. Molecular Formula: C14H10FNO
    5. Molecular Weight: 227.2337032
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 185836-35-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(benzyloxy)-2-fluorobenzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(benzyloxy)-2-fluorobenzonitrile(185836-35-5)
    11. EPA Substance Registry System: 4-(benzyloxy)-2-fluorobenzonitrile(185836-35-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 185836-35-5(Hazardous Substances Data)

185836-35-5 Usage

Uses

Used in Pharmaceutical Industry:
4-(benzyloxy)-2-fluorobenzonitrile serves as an intermediate in the synthesis of biologically active compounds. Its presence in the molecular structure of certain pharmaceuticals contributes to their therapeutic effects, making it a valuable component in drug development.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(benzyloxy)-2-fluorobenzonitrile is utilized in the production of herbicides. Its chemical properties allow it to be a key constituent in the formulation of these agricultural chemicals, which are designed to control, repel, or kill unwanted plants.
Used in Organic Chemistry:
As a building block, 4-(benzyloxy)-2-fluorobenzonitrile is employed in the synthesis of a wide range of organic molecules. Its versatility in organic synthesis is attributed to the presence of the nitrile group, which can be further manipulated in chemical reactions to form various organic compounds.
Used in Medicinal Chemistry:
4-(benzyloxy)-2-fluorobenzonitrile also plays a role in medicinal chemistry, where it is used to construct molecules with potential medicinal properties. Its structural elements, including the benzyloxy and fluorine substitutions, can influence the pharmacological activity of the molecules in which it is incorporated.
Used in Chemical and Biological Research:
The fluorine substituent in 4-(benzyloxy)-2-fluorobenzonitrile makes it a valuable tool in chemical and biological studies. The unique characteristics of fluorine, such as its high electronegativity and small size, can significantly affect the reactivity and binding properties of molecules in research settings.

Check Digit Verification of cas no

The CAS Registry Mumber 185836-35-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,5,8,3 and 6 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 185836-35:
(8*1)+(7*8)+(6*5)+(5*8)+(4*3)+(3*6)+(2*3)+(1*5)=175
175 % 10 = 5
So 185836-35-5 is a valid CAS Registry Number.

185836-35-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-fluoro-4-phenylmethoxybenzonitrile

1.2 Other means of identification

Product number -
Other names 2-fluoro-4-benzyloxybenzonitrile

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:185836-35-5 SDS

185836-35-5Relevant articles and documents

Development of a practical synthesis to PI3K α-selective inhibitor GDC-0326

Koenig, Stefan G.,Green, Keena L.,Müller, Barbara,Sowell, C. Gregory,Askin, David,Gosselin, Francis

, (2020/12/29)

A practical route to PI3K α-selective inhibitor GDC-0326 is reported. The synthesis leverages an existing scheme to a key tetracyclic benzoxazepine intermediate and optimizes it for robustness and scalability, including removing numerous undesired conditions and reagents, as well as eliminating chromatographic purification steps. The process endgame is streamlined to utilize a single-step, stereocontrolled alkylation of the key phenol with a chiral lactamide mesylate, followed by recrystallization of the lactamide ether product, to deliver the desired enantiomer of the active pharmaceutical ingredient (API) GDC-0326.

SSAO INHIBITOR

-

Paragraph 0150-0152; 0489; 0490; 0491, (2020/04/02)

The present invention provides an SSAO inhibitor and an application thereof in preparing a drug for treating a disease related to SSAO. In particular, the present invention provides a compound shown in formula (IV) and a pharmaceutically acceptable salt thereof.

FUSED HETEROCYCLIC COMPOUND

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Paragraph 0277, (2017/03/08)

The present invention provides a fused heterocyclic compound that has CDK 8 and/or CDK 19 inhibitory activity. The present invention provides a compound represented by formula (I) (wherein the symbols are as defined in the description) or a salt thereof.

The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (

Heffron, Timothy P.,Heald, Robert A.,Ndubaku, Chudi,Wei, BinQing,Augistin, Martin,Do, Steven,Edgar, Kyle,Eigenbrot, Charles,Friedman, Lori,Gancia, Emanuela,Jackson, Philip S.,Jones, Graham,Kolesnikov, Aleksander,Lee, Leslie B.,Lesnick, John D.,Lewis, Cristina,McLean, Neville,M?rtl, Mario,Nonomiya, Jim,Pang, Jodie,Price, Steve,Prior, Wei Wei,Salphati, Laurent,Sideris, Steve,Staben, Steven T.,Steinbacher, Stefan,Tsui, Vickie,Wallin, Jeffrey,Sampath, Deepak,Olivero, Alan G.

, p. 985 - 1002 (2016/02/23)

Inhibitors of the class I phosphoinositide 3-kinase (PI3K) isoform PI3Kα have received substantial attention for their potential use in cancer therapy. Despite the particular attraction of targeting PI3Kα, achieving selectivity for the inhibition of this

SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS

-

Paragraph 0174; 0349, (2015/04/21)

Embodiments of the disclosure relate to selectively substituted quinoline compounds that act as antagonists or inhibitors for Toll-like receptors 7 and/or 8, and their use in pharmaceutical compositions effective for treatment of systemic lupus erythematosus (SLE) and lupus nephritis.

Compounds as syk kinase inhibitors

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Paragraph 0138; 0139, (2013/03/26)

The present invention relates to a compound of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by inhibition of Syk kinase.

COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS

-

Page/Page column 225-226, (2010/11/19)

Disclosed is a composition for agricultural use, which is used for controlling or preventing plant diseases caused by plant pathogens. The composition for agricultural use contains a compound represented by formula (1), a salt thereof or a hydrate of the compound or the salt. (1) [In the formula, Z represents an oxygen atom, a sulfur atom or NRz; and E represents a furyl group, a thienyl group, a pyrrolyl group, a tetrazolyl group, a thiazolyl group, a pyrazolyl group, a phenyl group or the like.]

Indazoles, benzisoxazoles and benzisothiazoles as estrogenic agents

-

Page/Page column 15, (2008/06/13)

The present invention relates to compounds of formula (I): in which R1, R2, R3, X, Y and A are as defined in the specification. The compounds are modulators of the estrogen receptors.

5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR

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Page/Page column 126, (2008/06/13)

The present invention relates to a fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and

Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A

-

, (2008/06/13)

vitamin A, or a derivative of vitamin A having vitamin A like activity is co-administered with inhibitors of the CP450RAI1 and/or of CP450RAI2 enzymes for the purpose of treating diseases and conditions in mammals, including humans, which diseases or conditions are prevented, treated, ameliorated, or the onset of which is delayed by administration of retinoid compounds or by the mammalian organism's naturally occurring retinoic acid.

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