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Methyl 4-bromo-2,5-difluorobenzoate is a chemical compound that belongs to the ester class of organic compounds. It is a brominated benzoate ester with two fluorine atoms attached to the benzene ring. Methyl 4-broMo-2,5-difluorobenzoate is known for its potential applications in various industries due to its unique structure and properties.

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  • 1193162-21-8 Structure
  • Basic information

    1. Product Name: Methyl 4-broMo-2,5-difluorobenzoate
    2. Synonyms: Methyl 4-broMo-2,5-difluorobenzoate;methy 4-bromo-2,5-difluorobenzoate;4-Bromo-2,5-difluoro-benzoic acid methyl ester
    3. CAS NO:1193162-21-8
    4. Molecular Formula: C8H5BrF2O2
    5. Molecular Weight: 251.0249064
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1193162-21-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Methyl 4-broMo-2,5-difluorobenzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Methyl 4-broMo-2,5-difluorobenzoate(1193162-21-8)
    11. EPA Substance Registry System: Methyl 4-broMo-2,5-difluorobenzoate(1193162-21-8)
  • 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: 1193162-21-8(Hazardous Substances Data)

1193162-21-8 Usage

Uses

Used in Chemical Research:
Methyl 4-bromo-2,5-difluorobenzoate is used as a building block or intermediate for the synthesis of various organic compounds. Its presence in chemical research is significant as it aids in the development of new chemical entities.
Used in Pharmaceutical Research:
Methyl 4-bromo-2,5-difluorobenzoate is used as a reagent in organic synthesis, particularly in the pharmaceutical industry. It serves as a starting material for the preparation of pharmaceuticals, contributing to the development of new drugs.
Used in Agrochemical Development:
Methyl 4-bromo-2,5-difluorobenzoate is also used in the development of new agricultural products. Its application in this field is due to the presence of bromine and fluorine, which make it a valuable component in the creation of effective agrochemicals.
Used in Drug Development:
The presence of bromine and fluorine in Methyl 4-bromo-2,5-difluorobenzoate makes it useful for the development of new drugs. Its unique structure allows for potential interactions with biological targets, leading to the creation of novel therapeutic agents.
Overall, Methyl 4-bromo-2,5-difluorobenzoate is an important chemical compound with various applications in the chemical, pharmaceutical, and agrochemical industries. Its versatility as a building block and intermediate in synthesis processes, as well as its potential in drug and agrochemical development, make it a valuable asset in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1193162-21-8 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,9,3,1,6 and 2 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1193162-21:
(9*1)+(8*1)+(7*9)+(6*3)+(5*1)+(4*6)+(3*2)+(2*2)+(1*1)=138
138 % 10 = 8
So 1193162-21-8 is a valid CAS Registry Number.

1193162-21-8Downstream Products

1193162-21-8Relevant articles and documents

Identification of Novel Tricyclic Benzo[1,3]oxazinyloxazolidinones as Potent Antibacterial Agents with Excellent Pharmacokinetic Profiles against Drug-Resistant Pathogens

Wu, Yongqi,Wang, Bin,Lu, Haijia,Zhao, Hongyi,Yang, Beibei,Li, Li,Lu, Yu,Zhang, Dongfeng,Sun, Ning,Huang, Haihong

supporting information, p. 3234 - 3248 (2021/04/06)

A series of conformationally constrained novel benzo[1,3]oxazinyloxazolidinones were designed, synthesized, and evaluated on their activities against Mycobacterium tuberculosis, Gram-positive bacteria, and Gram-negative bacteria. The studies identified a new compound 20aa that displayed good to excellent antibacterial and antitubercular profiles against drug-resistant TB strains (MIC = 0.48-0.82 μg/mL), MRSA (MIC = 0.25-0.5 μg/mL), MRSE (MIC = 1 μg/mL), VISA (MIC = 0.25 μg/mL), and VRE (MIC = 0.25 μg/mL) and some linezolid-resistant strains (MIC 1-2 μg/mL). Compound 20aa was demonstrated as a promising candidate through ADME/T evaluation including microsomal stability, cytotoxicity, and inhibition of hERG and monoamine oxidase. Notably, 20aa showed excellent mouse PK profile with high plasma exposure (AUC0-∞ = 78 669 h·ng/mL), high peak plasma concentration (Cmax = 10 253 ng/mL), appropriate half-life of 3.76 h, and superior oral bioavailability (128%). The present study not only successfully provides a novel benzo[1,3]oxazinyloxazolidinone scaffold with superior druggability but also lays a good foundation for new antibacterial drug development.

NOVEL ANTIBIOTICS AND METHODS OF USING SAME

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Page/Page column 76, (2018/05/16)

The present invention includes novel 3,6-diazabicyclo[3.1.1]heptane antibiotic compounds and any salts or solvates thereof. The present invention further includes methods of preparing such compounds, and methods of treating bacterial infection in a subjec

SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF

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Paragraph 0239; 0240; 0241, (2016/09/26)

Provided is a sulfonamide derivative represented by the following general formula (1) and having an α4 integrin inhibitory effect with high selectivity with a low effect on α4β1 and a high effect on α4β7, or a pharmaceutically acceptable salt thereof (in the general formula (1), A, B, D, E, R41, and a to h are as described in the description).

In vitro and in vivo identification of novel positive allosteric modulators of the human dopamine D2 and D3 receptor

Wood, Martyn,Ates, Ali,Andre, Veronique Marie,Michel, Anne,Barnaby, Robert,Gillard, Michel

, p. 303 - 312 (2016/02/26)

Agonists at dopamine D2 and D3 receptors are important therapeutic agents in the treatment of Parkinson's disease. Compared with the use of agonists, allosteric potentiators offer potential advantages such as temporal, regional, and phasic potentiation of

SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF

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Paragraph 0677-0678, (2015/02/25)

Provided are sulfonamide derivatives of a specific chemical structure in which a sulfonamide group having, as a substituent, a phenyl group or a heterocyclic group having a hetero atom(s) as a constituent element(s) is present at its terminal, and pharmaceutically acceptable salts thereof. These compounds are novel compounds having excellent α4 integrin-inhibitory action.

THERAPEUTIC INHIBITORY COMPOUNDS

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Page/Page column 295, (2015/07/16)

The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

TRICYCLIC SULFONAMIDE DERIVATIVES

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Paragraph 0986-0988, (2015/07/15)

The invention relates to derivatives of formula (I), wherein the substituents are as defined in the specification; to processes for the preparation of such derivatives; pharmaceutical compositions comprising such derivatives; such derivatives as a medicament; such derivatives for the treatment of pain.

TRICYCLIC SULFONAMIDE DERIVATIVES

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Page/Page column 117, (2015/07/16)

The invention relates to derivatives of formula (I), wherein the substituents are as defined in the specification; to processes for the preparation of such derivatives; pharmaceutical compositions comprising such derivatives; such derivatives as a medicament; such derivatives for the treatment of pain.

4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF

-

, (2014/03/22)

Provided are compounds according to Formula I or a pharmaceutically acceptable salt or solvate thereof. Such compounds can be used in the treatment of RORgammaT-mediated diseases or conditions.

4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF

-

, (2014/03/22)

The present invention relates to compounds according to Formula I (Formula I), and pharmaceutically acceptable salts or solvates thereof. Such compounds can be used in the treatment of RORgammaT-mediated diseases or conditions.

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