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2-Fluoro-3-methoxybenzoic acid, a chemical compound with the molecular formula C8H7FO3, is a white crystalline solid that exhibits both acidic and aromatic properties due to the presence of a fluorine atom and a methoxy group attached to a benzene ring. It is primarily used in the synthesis of pharmaceuticals and agrochemicals, as well as in research and development processes.

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  • 137654-20-7 Structure
  • Basic information

    1. Product Name: 2-FLUORO-3-METHOXYBENZOIC ACID
    2. Synonyms: 2-FLUORO-3-METHOXYBENZOIC ACID;2-Fluoro-3-methoxybenzoic acid 98%;2-Fluoro-3-methoxybenzoicacid98%;3-Carboxy-2-fluoroanisole;2-Fluoro-3-Methoxybenzoic acd;2-Fluoro-3-Methoxybenzoic Acid(WX612106)
    3. CAS NO:137654-20-7
    4. Molecular Formula: C8H7FO3
    5. Molecular Weight: 170.14
    6. EINECS: 1592732-453-0
    7. Product Categories: blocks;Carboxes;FluoroCompounds;Benzoic acid;Fluorine series
    8. Mol File: 137654-20-7.mol
    9. Article Data: 8
  • Chemical Properties

    1. Melting Point: 157-160°C
    2. Boiling Point: 296.6 °C at 760 mmHg
    3. Flash Point: 133.2 °C
    4. Appearance: /
    5. Density: 1.307 g/cm3
    6. Vapor Pressure: 0.000641mmHg at 25°C
    7. Refractive Index: 1.524
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.15±0.10(Predicted)
    11. CAS DataBase Reference: 2-FLUORO-3-METHOXYBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-FLUORO-3-METHOXYBENZOIC ACID(137654-20-7)
    13. EPA Substance Registry System: 2-FLUORO-3-METHOXYBENZOIC ACID(137654-20-7)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 36/37/38-22
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 137654-20-7(Hazardous Substances Data)

137654-20-7 Usage

Uses

Used in Pharmaceutical Industry:
2-Fluoro-3-methoxybenzoic acid is used as an intermediate in the synthesis of various pharmaceutical compounds for its unique chemical properties, contributing to the development of new drugs with improved therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical industry, 2-Fluoro-3-methoxybenzoic acid serves as a key intermediate in the production of agrochemicals, such as pesticides and herbicides, enhancing their effectiveness in controlling pests and weeds.
Used in Research and Development:
2-Fluoro-3-methoxybenzoic acid is employed in research and development processes to explore its potential applications in various fields, including the synthesis of new organic compounds and the investigation of its chemical properties and reactivity.
It is crucial to handle 2-Fluoro-3-methoxybenzoic acid with care due to its potential hazards, such as skin and eye irritation, ensuring safety in its applications across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 137654-20-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,7,6,5 and 4 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 137654-20:
(8*1)+(7*3)+(6*7)+(5*6)+(4*5)+(3*4)+(2*2)+(1*0)=137
137 % 10 = 7
So 137654-20-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)

137654-20-7SDS

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-3-methoxybenzoic acid

1.2 Other means of identification

Product number -
Other names 2-FLUORO-3-METHOXYBENZOIC 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:137654-20-7 SDS

137654-20-7Relevant articles and documents

Palladium-catalyzed aryl-aryl cross-coupling reaction using ortho-substituted arylindium reagents

Pena, Miguel A.,Sestelo, Jose Perez,Sarandeses, Luis A.

, p. 1271 - 1275 (2007)

(Chemical Equation Presented) A range of biaryl compounds (aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl) can be efficiently prepared by a palladium-catalyzed cross-coupling reaction between ortho-substituted triarylindium reagents and aryl halide

Expedient Pd-Catalyzed α-Arylation towards Dibenzoxepinones: Pivotal Manske's Ketone for the Formal Synthesis of Cularine Alkaloids

Deichert, Julie A.,Mizufune, Hideya,Patel, Jignesh J.,Hurst, Timothy E.,Maheta, Ashish,Kitching, Matthew O.,Ross, Avena C.,Snieckus, Victor

supporting information, p. 4693 - 4697 (2020/05/08)

The general synthesis of diversely substituted dibenzoxepinones by a combined Pd-catalyzed α-arylation and SNAr strategy is reported and applied to the synthesis of Manske's ketone, a key intermediate en route to the total synthesis of cularine alkaloids. In the course of this work, an unanticipated ring contraction reaction to a xanthone was observed and serves as a caveat for the conditions of the widely used α-arylation reaction.

Method for synthesizing ethyl 2-bromo-2-(2-fluoro-3-methoxyphenyl) acetate by carbon dioxide method

-

Paragraph 0038-0042; 0049-0055; 0061-0067; 0073-0079, (2019/05/21)

The invention discloses a method for synthesizing ethyl 2-bromo-2-(2-fluoro-3-methoxyphenyl) acetate by a carbon dioxide method. A synthetic route is as shown in specification. The preparation methodof the compound comprises preparation of a compound of f

Synthesis of methyl-, fluoro-, and chloro-substituted 6-hydroxyisoindolin-1-ones

Powers, James J.,Favor, David A.,Rankin, Trent,Sharma, Rashmi,Pandit, Chetan,Jeganathan, Azhwarsamy,Maiti, Samarendra N.

supporting information; experimental part, p. 1267 - 1269 (2009/09/05)

The synthesis of a series of methyl-, fluoro-, and chloro-substituted 6-hydroxyisoindolin-1-ones is described.

ISOINDOLE DERIVATIVES

-

Page/Page column 31, (2010/11/30)

This invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, a process of making these compounds, pharmaceutical compositions containing one or more of these compounds or their salts, and their use for the treatment of schizophrenia, bipolar disorder, or other central nervous system disorders.

PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS

-

Page 122, (2008/06/13)

A compound of formula (I), pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof for the treatment of asthma, allergic rhinitis, COPD, inflammatory bowel disease, irritable bowel syndrome, osteoarthritis, osteoporosis, rheumatoid

Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries

Pirrung, Michael C.,Park, Kaapjoo

, p. 2115 - 2118 (2007/10/03)

A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-μmol level. 19F NMR is

Benzopyranopyrazolyl derivatives for the treatment of inflammation

-

, (2008/06/13)

A class of benzopyranopyrazolyl derivatives is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula I STR1 wherein A is --(CH2)m --X--(CH2)n --; wherein X is S(O)p or O; wherein m is 0 or 1; wherein n is 0 or 1; wherein p is 0 or 1; wherein B is selected from phenyl and five and six membered heteroaryl; wherein R1 is selected from lower haloalkyl, cyano, formyl, lower alkoxycarbonyl, lower alkoxy, lower N-alkylaminocarbonyl, N-phenylaminocarbonyl, lower N,N-dialkylaminocarbonyl and lower N-alkyl-N-phenylaminocarbonyl; wherein R2 is phenyl substituted at a substitutable position with a radical selected from lower alkylsulfonyl and sulfamyl; and wherein R4 is one or more radicals selected from hydrido, halo, lower alkylthio, lower alkylsulfinyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, aminocarbonyl, lower haloalkyl, hydroxyl, lower alkoxy, amino, lower N-alkylamino, lower N,N-dialkylamino, lower hydroxyalkyl and lower haloalkoxy; or a pharmaceutically-acceptable salt thereof.

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