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Benzenemethanol, 3-amino-4-fluoro(9CI) is an organic compound characterized by a benzene ring with an attached amino group and a fluorine atom. It serves as a versatile building block or intermediate in the synthesis of pharmaceuticals and agrochemicals, with potential applications in drug development due to its ability to be modified for desired biological activities. Its unique structure, featuring the amino and fluoro groups, makes it a valuable starting material for preparing a range of chemical compounds, including specialty polymers and coatings in materials science.

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  • 227609-86-1 Structure
  • Basic information

    1. Product Name: Benzenemethanol, 3-amino-4-fluoro- (9CI)
    2. Synonyms: Benzenemethanol, 3-amino-4-fluoro- (9CI);(3-Amino-4-fluorophenyl)methanol, 2-Fluoro-5-(hydroxymethyl)aniline;Benzenemethanol, 3-amino-4-fluoro-
    3. CAS NO:227609-86-1
    4. Molecular Formula: C7H8FNO
    5. Molecular Weight: 141.1429232
    6. EINECS: N/A
    7. Product Categories: VARIOUSAMINE
    8. Mol File: 227609-86-1.mol
  • Chemical Properties

    1. Melting Point: 76~78℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzenemethanol, 3-amino-4-fluoro- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenemethanol, 3-amino-4-fluoro- (9CI)(227609-86-1)
    11. EPA Substance Registry System: Benzenemethanol, 3-amino-4-fluoro- (9CI)(227609-86-1)
  • 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: 227609-86-1(Hazardous Substances Data)

227609-86-1 Usage

Uses

Used in Pharmaceutical Industry:
Benzenemethanol, 3-amino-4-fluoro(9CI) is used as a key intermediate for the synthesis of various pharmaceuticals, leveraging its chemical properties to create compounds with targeted biological activities. Its presence in drug development facilitates the creation of new medications with specific therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical sector, Benzenemethanol, 3-amino-4-fluoro(9CI) is utilized as a building block in the production of agrochemicals, contributing to the development of effective and environmentally responsible products for agricultural applications.
Used in Materials Science:
Benzenemethanol, 3-amino-4-fluoro(9CI) is employed as a starting material in the field of materials science, particularly for the production of specialty polymers and coatings. Its unique structure allows for the development of materials with enhanced properties for various industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 227609-86-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,7,6,0 and 9 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 227609-86:
(8*2)+(7*2)+(6*7)+(5*6)+(4*0)+(3*9)+(2*8)+(1*6)=151
151 % 10 = 1
So 227609-86-1 is a valid CAS Registry Number.

227609-86-1SDS

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-Amino-4-fluorophenyl)methanol

1.2 Other means of identification

Product number -
Other names 2-fluoro-5-(hydroxymethyl)aniline

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:227609-86-1 SDS

227609-86-1Relevant articles and documents

Cyclization of substitued 2-(2-fluorophenylazo)azines to azino[1, 2-c]benzo[d][1, 2, 4]triazinium derivatives

Jankowiak, Aleksandra,Obijalska, Emilia,Kaszynski, Piotr

, p. 1873 - 1880 (2013)

Light-induced cyclization of several substituted 2-(2-fluorophenylazo) azines in the presence of Ca2+ ions to the corresponding triazinium derivatives is investigated experimentally and computationally. The azo derivatives of 4-methylpyridine 4 undergo facile cyclization to the corresponding triazinium 1, and the rate of cyclization increases with increasing number of fluorine atoms at the benzene ring. No triazinium ions were obtained from azo derivatives of 4-cyanopyridine, pyrazine and pyrimidine, presumably due to their instability under the reaction conditions. The experimental results and mechanism are discussed with the aid of DFT computational results.

TYK2 INHIBITORS AND USES THEREOF

-

, (2020/09/27)

Described herein are compounds that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation.

Asymmetric synthesis of 3-azide-4-fluoro-L-phenylalanine

Adachi, Masaatsu,Nakajima, Mado,Isobe, Minoru

, p. 707 - 709 (2015/10/05)

The asymmetric synthesis of N-Fmoc-protected 3-azide-4-fluoro-L-phenylalanine as a photoactive phenylalanine analog has been achieved by Sch?llkopf's alkylation.

HUMAN PLASMA KALLIKREIN INHIBITORS

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Page/Page column 185; 186, (2015/11/02)

Disclosed are compounds of formula (I), as described herein, and pharmaceutically acceptable salts thereof. The compounds are inhibitors of plasma kallikrein. Also provided are pharmaceutical compositions comprising at least one compound of the invention, and methods involving use of the compounds and compositions of the invention in the treatment and prevention of diseases and conditions characterized by unwanted plasma kallikrein activity.

KINASE INHIBITORS

-

Paragraph 0477; 0478, (2015/01/06)

Compounds of formula (I) described herein are p38 MAPK inhibitors and are useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract

KINASE INHIBITORS

-

Page/Page column 101; 102, (2015/01/06)

This invention relates to compounds and compositions that are p38 MAPK inhibitors, useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract.

NOVEL PYRIMIDINE DERIVATIVES 698

-

Page/Page column 170, (2008/12/07)

The invention concerns compounds of Formula (I), or a pharmaceutically acceptable salt thereof, where R1, n, R2, R3, and R4 are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an antiproliferative agent in the prevention or treatment of tumours or other proliferative conditions which are sensitive to the inhibition of EphB4 kinases.

QUINAZOLINE DERIVATIVES

-

Page/Page column 93-94, (2008/06/13)

The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of X1, p, R1, q, R2, R3, R4, R5, Ring A, r and R6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER

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Page/Page column 87, (2008/06/13)

The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R1, q, R2, R3, R4, R5, Ring A, X1, R6, r and R7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

Synthesis and structure-activity relationships of a novel series of 2,3,5,6,7,9-hexahydrothieno[3,2-b]quinoline-8(4H)-one 1,1-dioxide K ATP channel openers: Discovery of (-)-(9S)-9-(3-bromo-4-fluorophenyl)-2,3,5,6,7,9-hexahydrothieno[3,2-b] quinolin-8(4H)-one 1,1-dioxide (A-278637), a potent KATP opener that selectively inhibits spontaneous bladder contractions

Carroll, William A.,Altenbach, Robert J.,Bai, Hao,Brioni, Jorge D.,Brune, Michael E.,Buckner, Steven A.,Cassidy, Christopher,Chen, Yiyuan,Coghlan, Michael J.,Daza, Anthony V.,Drizin, Irene,Fey, Thomas A.,Fitzgerald, Michael,Gopalakrishnan, Murali,Gregg, Robert J.,Henry, Rodger F.,Holladay, Mark W.,King, Linda L.,Kort, Michael E.,Kym, Philip R.,Milicic, Ivan,Tang, Rui,Turner, Sean C.,Whiteaker, Kristi L.,Yi, Lin,Zhang, Henry,Sullivan, James P.

, p. 3163 - 3179 (2007/10/03)

Structure-activity relationships were investigated on a novel series of sulfonyldihydropyridine-containing KATP openers. Ring sizes, absolute stereochemistry, and aromatic substitution were evaluated for K ATP activity in guinea pig bladder cells using a fluorescence-based membrane potential assay and in a pig bladder strip assay. The inhibition of spontaneous bladder contractions in vitro was also examined for a select group of compounds. All compounds studied showed greater potency to inhibit spontaneous bladder contractions relative to their potencies to inhibit contractions elicited by electrical stimulation. In an anesthetized pig model of myogenic bladder overactivity, compound 14 and (-)-cromakalim 1 were found to inhibit spontaneous bladder contractions in vivo at plasma concentrations lower than those that affected hemodynamic parameters. Compound 14 showed approximately 5-fold greater selectivity than 1 in vivo and supports the concept that bladder-selective KATP channel openers may have utility in the treatment of overactive bladder.

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