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2-Fluoro-6-methylbenzoic acid is a chemical compound characterized by the molecular formula C8H7FO2. It is a white solid at room temperature and exhibits insolubility in water. 2-Fluoro-6-methylbenzoic acid is recognized for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, and it has garnered interest for its potential applications in the development of organic light-emitting diodes (OLEDs) and materials science. Due to its potentially hazardous nature, it is crucial to handle 2-Fluoro-6-methylbenzoic acid with care, adhering to proper safety precautions and guidelines.

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  • 90259-27-1 Structure
  • Basic information

    1. Product Name: 2-Fluoro-6-methylbenzoic acid
    2. Synonyms: 2-FLUORO-6-METHYLBENZOIC ACID;2-Fluoro-6-methylbenzoic acid 98%;2-fluoro-6-methylbenzoic acid 90259-27-1;2-Fluoro-6-Methylben;2-Carboxy-3-fluorotoluene, 6-Fluoro-o-toluic acid;2-Fluoro-6-Methylbenzoic Acid, 97+%;Benzoic acid, 2-fluoro-6-methyl-
    3. CAS NO:90259-27-1
    4. Molecular Formula: C8H7FO2
    5. Molecular Weight: 154.14
    6. EINECS: N/A
    7. Product Categories: Fluorin-contained Benzoic acid series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Fluorine series
    8. Mol File: 90259-27-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 257.715 °C at 760 mmHg
    3. Flash Point: 109.662 °C
    4. Appearance: /
    5. Density: 1.259 g/cm3
    6. Vapor Pressure: 0.007mmHg at 25°C
    7. Refractive Index: 1.533
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 2.96±0.31(Predicted)
    11. CAS DataBase Reference: 2-Fluoro-6-methylbenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Fluoro-6-methylbenzoic acid(90259-27-1)
    13. EPA Substance Registry System: 2-Fluoro-6-methylbenzoic acid(90259-27-1)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 90259-27-1(Hazardous Substances Data)

90259-27-1 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
2-Fluoro-6-methylbenzoic acid is utilized as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique chemical structure contributes to the development of new drugs and pesticides, enhancing their efficacy and selectivity.
Used in Organic Light-Emitting Diodes (OLEDs):
2-Fluoro-6-methylbenzoic acid is studied for its potential use in the development of organic light-emitting diodes. Its properties may contribute to improving the performance and efficiency of OLEDs, making them suitable for various applications such as displays and lighting.
Used in Materials Science:
In the field of materials science, 2-Fluoro-6-methylbenzoic acid is explored for its potential applications in the development of new materials with unique properties. Its incorporation into materials may lead to advancements in areas such as polymers, coatings, and composites.

Check Digit Verification of cas no

The CAS Registry Mumber 90259-27-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,0,2,5 and 9 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 90259-27:
(7*9)+(6*0)+(5*2)+(4*5)+(3*9)+(2*2)+(1*7)=131
131 % 10 = 1
So 90259-27-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)

90259-27-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Fluoro-6-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names 6-fluoro-2-methylbenzoic acid

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:90259-27-1 SDS

90259-27-1Relevant articles and documents

Iron-Catalyzed Ortho C-H Methylation of Aromatics Bearing a Simple Carbonyl Group with Methylaluminum and Tridentate Phosphine Ligand

Shang, Rui,Ilies, Laurean,Nakamura, Eiichi

supporting information, p. 10132 - 10135 (2016/08/31)

Iron-catalyzed C-H functionalization of aromatics has attracted widespread attention from chemists in recent years, while the requirement of an elaborate directing group on the substrate has so far hampered the use of simple aromatic carbonyl compounds such as benzoic acid and ketones, much reducing its synthetic utility. We describe here a combination of a mildly reactive methylaluminum reagent and a new tridentate phosphine ligand for metal catalysis, 4-(bis(2-(diphenylphosphanyl)phenyl)phosphanyl)-N,N-dimethylaniline (Me2N-TP), that allows us to convert an ortho C-H bond to a C-CH3 bond in aromatics and heteroaromatics bearing simple carbonyl groups under mild oxidative conditions. The reaction is powerful enough to methylate all four ortho C-H bonds in benzophenone. The reaction tolerates a variety of functional groups, such as boronic ester, halide, sulfide, heterocycles, and enolizable ketones.

INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2

-

Page/Page column 51, (2008/06/13)

This invention provides chemical inhibitors of the activity of various phospholipase enzymes, particularly cytosolic phospholipase A2 enzymes (cPLA2), more particularly including inhibitors of cytosolic phospholipase A2 alpha enzymes (cPLAα). In some embodiments, the inhibitors have the Formula I: wherein the constituent variables are as defined herein.

HETEROAROMATIC UREAS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1)

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Page/Page column 31-32, (2010/02/11)

Compounds of formula (I): are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).

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