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  • or
4-Cyano-2-fluorobenzyl alcohol is a chemical compound characterized by the molecular formula C8H6FNO and a molecular weight of 149.14 g/mol. It is a colorless or pale yellow liquid at room temperature and pressure, known for its role as a building block in organic synthesis, particularly within the pharmaceutical and agrochemical industries.

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  • 219873-06-0 Structure
  • Basic information

    1. Product Name: 4-Cyano-2-fluorobenzyl alcohol
    2. Synonyms: Benzonitrile, 3-fluoro-4-(hydroxymethyl)- (9CI);3-Fluoro-4-(hydroxymethyl)benzonitrile;4-Cyano-2-fluorobenzyl alcohol;3-Fluoro-4-(hydroxyMethyl)-benzonitrile[4-cyano--2-fluorobenzyl alcohol;3-Fluoro-4-(hydroxymethyl)benzonitrile99+%;Benzonitrile, 3-fluoro-4-(hydroxymethyl)-
    3. CAS NO:219873-06-0
    4. Molecular Formula: C8H6FNO
    5. Molecular Weight: 151.14
    6. EINECS: N/A
    7. Product Categories: HALIDE;ALDEHYDE
    8. Mol File: 219873-06-0.mol
  • Chemical Properties

    1. Melting Point: 63-68°C
    2. Boiling Point: 288.8°Cat760mmHg
    3. Flash Point: 128.5°C
    4. Appearance: /
    5. Density: 1.27 g/mL at 25 °C
    6. Vapor Pressure: 0.00106mmHg at 25°C
    7. Refractive Index: 1.546
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 13.51±0.10(Predicted)
    11. CAS DataBase Reference: 4-Cyano-2-fluorobenzyl alcohol(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Cyano-2-fluorobenzyl alcohol(219873-06-0)
    13. EPA Substance Registry System: 4-Cyano-2-fluorobenzyl alcohol(219873-06-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 41
    3. Safety Statements: 26-39
    4. WGK Germany: 1
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 219873-06-0(Hazardous Substances Data)

219873-06-0 Usage

Uses

Used in Pharmaceutical Industry:
4-Cyano-2-fluorobenzyl alcohol is used as an intermediate in the synthesis of various pharmaceuticals for its potential biological activities, contributing to the development of new drugs with therapeutic benefits.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Cyano-2-fluorobenzyl alcohol serves as a key intermediate, aiding in the production of agrochemicals designed to protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
4-Cyano-2-fluorobenzyl alcohol is utilized as a starting material for the synthesis of other organic compounds, highlighting its versatility and importance in organic chemistry for creating a wide range of chemical products.

Check Digit Verification of cas no

The CAS Registry Mumber 219873-06-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,8,7 and 3 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 219873-06:
(8*2)+(7*1)+(6*9)+(5*8)+(4*7)+(3*3)+(2*0)+(1*6)=160
160 % 10 = 0
So 219873-06-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2

219873-06-0SDS

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 3-fluoro-4-(hydroxymethyl)benzonitrile

1.2 Other means of identification

Product number -
Other names 4-cyano-2-fluorobenzyl alcohol

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:219873-06-0 SDS

219873-06-0Relevant articles and documents

Preparation method of 4-cyano-2-fluorobenzyl alcohol

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, (2021/10/27)

The invention discloses a preparation method of 4-cyano-2-fluorobenzyl alcohol, and belongs to the technical field of medical intermediates. 3, 4-difluorobenzonitrile is adopted as a raw material and reacts with potassium bromide in the presence of a phase transfer catalyst, or 3-fluoro-4-bromobenzaldehyde and hydroxylamine are subjected to a dehydration reaction to obtain 3-fluoro-4-bromobenzonitrile, and then the 3-fluoro-4-bromobenzonitrile is subjected to Grignard reagent exchange and reacts with paraformaldehyde to obtain the 4-cyano-2-fluorobenzyl alcohol. The method is safe and stable, the obtained product is easy to purify, and the method has potential industrial amplification prospects.

Piperidine compound and preparation method and medical application thereof

-

Paragraph 0937-0940, (2021/04/07)

The invention discloses a piperidine compound shown as a formula (I) and a preparation method and medical application thereof, and particularly relates to a piperidine USP7 inhibitor compound or pharmaceutically acceptable salt or ester or solvate thereof and a preparation method and application of the piperidine USP7 inhibitor compound or pharmaceutically acceptable salt or ester or solvate thereof. The compound provided by the invention can inhibit the activity of USP7 enzyme, has very good selectivity and druggability, and can be used for preparing medicines for preventing or treating tumor diseases or virus infectious diseases.

3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS

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Page/Page column 138, (2018/04/11)

The present invention is directed to substituted 5-trifluoromethyl oxadiazole compounds of generic formula (I) or a pharmaceutically acceptable salt thereof. In particular, the invention is directed to a class of aryl and heteroaryl substituted 5-trifluoromethyl oxadiazole compounds of formula I which may be useful as HDAC6 inhibitors for treating cellular proliferative diseases, including cancer, neurodegenerative diseases, such as schizophrenia and stroke, as well as other diseases.

SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF

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Paragraph 0353-0356, (2016/10/17)

1,6-Naphthyridine or 8-azaquinazoline derivatives (I) are new. 1,6-Naphthyridine or 8-azaquinazoline derivatives of formula (I) are new. D : N or CR 4>; R 4> : H, F, CF 3 or 1-4C alkyl; Ar : 5-R 5>-6-R 6>-2-methyl-4-oxo-4H-1-benzopyran-8-yl; 3-R 6>-4-R 8>-1-naphthyl optionally substituted with 1-3 of R 7>; 7-R 6>-8-R 8>-5-quinolinyl optionally substituted with 1-2 of R 7>; or 2-R 9>-3-R 10>-4-R 8>-5-R 6>-phenyl; R 5> : H, F, Cl, CN, NO 2, CF 3 or 1-4C alkyl; R 6> : H or F; R 7> : halo, 1-4C alkyl, CF 3, 1-4C alkoxy or OCF 3; R 8> : CN or NO 2; R 9> : H or halo; optionally fluorinated 1-4C alkyl, 1-4C alkoxy, 1-4C alkylthio of di(1-4C alkyl)amino; or phenyl optionally substituted with halo, 1-4C alkyl or CF 3; R 10> : H, halo or 1-4C alkyl; R 1> : optionally fluorinated 1-4C alkyl; R 2> : 1-6C alkyl optionally substituted with 3-7C cycloalkyl or F; or SO 2R 11>; R 11> : 1-6C alkyl, CF 3 or 3-7C cycloalkyl; or phenyl or heteroaryl optionally substituted with 1-2 of halo, CN, 1-4C alkyl, CF 3, 1-4C alkoxy and/or OCF 3; R 3> : H, F, CF 3 or 1-4C alkyl. An independent claim is also included for a process for preparing (I). [Image] ACTIVITY : Hypotensive; Cardiant; Hepatotropic; Nephrotropic; Cerebroprotective. MECHANISM OF ACTION : Mineralocorticoid receptor (MR) antagonist. 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide had an IC 50 of 35 nM when tested on cells expressing a GAL4-MR chimera.

IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

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, (2016/08/29)

The present invention provides a compound represented by formula I, wherein R is a halogen element or a C1-C6 alkyl group. The compound has S1 P1 receptor agonist activity and selective specificity and has obviously-shortened half-life in-vivo, and therefore the compound is a high-quality second-generation S1P1 receptor agonist. The present invention also provides a use of the compound in preparing medicine for treating diseases or symptoms mediated by an S1P1 receptor, a pharmaceutical composition comprising the compound, and uses of the compound and the pharmaceutical composition in treating diseases or symptoms mediated by the S1 P1 receptor.

A synthesis of the γ-secretase inhibitor BMS-708163

Maharvi, Ghulam M.,Fauq, Abdul H.

scheme or table, p. 6542 - 6544 (2011/02/22)

A concise, convergent racemic synthesis of BMS-708163 is reported. Two fragments consisting of N-4chlorophenylsulfonyl-3,3,3-trifluorpropylglycine and a 1,2,4-oxadiazole derivative of 2-fluorobenzyl alcohol were prepared in separate pots and then coupled

SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF

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Page/Page column 23, (2010/12/29)

The present application relates to novel substituted 4-aryl-1,4-dihydro-1,6-naphthyridines, a process for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, especially cardiovascular disorders.

SUBSTITUTED-4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF

-

, (2010/06/16)

The present application relates to novel substituted 4-aryl-1,4-dihydro-1,6-naphthyridine-3-carboxamides, a process for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, especially cardiovascular disorders.

SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES

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Page/Page column 119-120, (2010/08/08)

Disclosed are compounds of Formula (I) [INSERT CHEMICAL STRUCTURE HERE] (I) or pharmaceutically acceptable salts thereof, wherein Q is [INSERT CHEMICAL STRUCTURE HERE] or [INSERT CHEMICAL STRUCTURE HERE]; R1 is alkyl or aryl, said aryl optionally substituted with one to five substituents independently selected from C1 to C6 alkyl, C1 to C4 haloalkyl, OR4, and/or halogen; and R2, R3, R4, and n are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS

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Page/Page column 74, (2010/11/27)

There is provided compounds of formula I, [Chemical formula should be inserted here. Please see paper copy] wherein R1 to R4 , R41 to R46 and Z have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias

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