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Methyl 5-amino-2,4-difluorobenzoate is a chemical compound characterized by the molecular formula C8H7F2NO2. It is an organic compound that features a methyl ester group, an amino group, and two fluorine atoms attached to a benzene ring. Methyl 5-amino-2,4-difluorobenzoate exhibits a white crystalline appearance and is widely recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its applications extend across the chemical industry, serving as a building block for the production of various drugs and pesticides, and it is also utilized as a research chemical in laboratories due to its unique properties and potential in organic synthesis.

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  • 125568-73-2 Structure
  • Basic information

    1. Product Name: Methyl 5-amino-2,4-difluorobenzoate
    2. Synonyms: Benzoic acid, 5-amino-2,4-difluoro-, methyl ester (9CI);Methyl 5-amino-2,4-difluorobenzoate
    3. CAS NO:125568-73-2
    4. Molecular Formula: C8H7F2NO2
    5. Molecular Weight: 187.14
    6. EINECS: N/A
    7. Product Categories: AMINOACID
    8. Mol File: 125568-73-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 284.049 °C at 760 mmHg
    3. Flash Point: 125.589 °C
    4. Appearance: Reddish brown viscous liquid
    5. Density: 1.355 g/cm3
    6. Vapor Pressure: 0.003mmHg at 25°C
    7. Refractive Index: 1.524
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: Methyl 5-amino-2,4-difluorobenzoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 5-amino-2,4-difluorobenzoate(125568-73-2)
    12. EPA Substance Registry System: Methyl 5-amino-2,4-difluorobenzoate(125568-73-2)
  • 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: 125568-73-2(Hazardous Substances Data)

125568-73-2 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 5-amino-2,4-difluorobenzoate is used as an intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties. Its unique structure allows for the creation of molecules with potential medicinal applications.
Used in Agrochemical Industry:
In the agrochemical sector, Methyl 5-amino-2,4-difluorobenzoate is utilized as an intermediate in the production of pesticides, leveraging its chemical structure to enhance the effectiveness of these products in agricultural settings.
Used in Chemical Research:
Methyl 5-amino-2,4-difluorobenzoate is employed as a research chemical in laboratories, where its distinctive attributes are explored for potential applications in organic synthesis and the development of novel chemical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 125568-73-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,5,6 and 8 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 125568-73:
(8*1)+(7*2)+(6*5)+(5*5)+(4*6)+(3*8)+(2*7)+(1*3)=142
142 % 10 = 2
So 125568-73-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H7F2NO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3

125568-73-2SDS

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 Methyl 5-amino-2,4-difluorobenzoate

1.2 Other means of identification

Product number -
Other names methyl 3-amino-4,6-difluorobenzoate

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:125568-73-2 SDS

125568-73-2Relevant articles and documents

NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS

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Paragraph 1701-1702, (2020/04/24)

The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention further relates to the use of the compounds of Formula (I) as A2A inhibitors. The invention also relates to the use of the compounds of F

2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS

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Page/Page column 104, (2018/10/25)

The present invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof. The invention further relates to the use of the compounds of Formula (I) as A2A inhibitors. The invention also relates to the use of the compounds of Formula (I) for the treatment and/or prevention of cancer. The invention also relates to a process for manufacturing compounds of Formula (I).

CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS

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Page/Page column 22, (2009/07/17)

The present invention relates to compounds useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acq

CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS

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Page/Page column 23, (2009/06/27)

The present invention relates to compounds useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acq

CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS

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Page/Page column 12, (2009/06/27)

The present invention relates to compounds useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

Descriptive Photochemistry of Polyfluorinated Azide Derivatives of Methyl Benzoate

Soundararajan, N.,Platz, Matthew S.

, p. 2034 - 2044 (2007/10/02)

The photochemistry of several polyfluorinated azide derivatives of methyl benzoate have been studied in a variety of solvents.We have photolyzed methyl 3-azido-6-fluorobenzoate, methyl 3-azido-4-fluorobenzoate, methyl 4-azido-2-fluorobenzoate, methyl 3-azido-2,4-difluorobenzoate, methyl 3-azido-2,6-difluorobenzoate, methyl 3-azido-2,4,6-trifluorobenzoate, and methyl 4-azido-2,3,5,6-tetrafluorobenzoate in toluene, cyclopentane, tetramethylethylene, diethylamine, dimethyl sulfide, dimethyl disulfide, and methanol in an attempt to capture the photogenerated reactive intermediates.Adducts were not formed in cyclopentane, dimethyl disulfide, and methanol solvents.Adducts were formed, however, but in modest yields, in the other solvents.In general the yield of adducts increases with the number of fluorine substituents present, and ortho and para fluorine substituents relative to the azide group are more effective in enhancing the yield of adducts relative to meta fluorine substitution.

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