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3-Bromo-5-(trifluoromethoxy)Benzoicacid is a chemical compound with the molecular formula C8H4BrF3O3, belonging to the benzoic acid derivatives. It features a bromine atom at the 3-position and a trifluoromethoxy group at the 5-position, which endows it with unique chemical properties. This white crystalline solid is soluble in organic solvents and is valued for its versatile reactivity, making it a key intermediate in the synthesis of various pharmaceutical and chemical products.

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  • 453565-90-7 Structure
  • Basic information

    1. Product Name: 3-Bromo-5-(trifluoromethoxy)Benzoicacid
    2. Synonyms: 3-BROMO-5-(TRIFLUOROMETHOXY)BENZOIC ACID,99.8%
    3. CAS NO:453565-90-7
    4. Molecular Formula: C8H4BrF3O3
    5. Molecular Weight: 285.02
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 453565-90-7.mol
  • Chemical Properties

    1. Melting Point: 87-89℃
    2. Boiling Point: 290.6 °C at 760 mmHg
    3. Flash Point: 129.6 °C
    4. Appearance: /
    5. Density: 1.797 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: Room temperature.
    8. Solubility: N/A
    9. PKA: 3.43±0.10(Predicted)
    10. CAS DataBase Reference: 3-Bromo-5-(trifluoromethoxy)Benzoicacid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Bromo-5-(trifluoromethoxy)Benzoicacid(453565-90-7)
    12. EPA Substance Registry System: 3-Bromo-5-(trifluoromethoxy)Benzoicacid(453565-90-7)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 453565-90-7(Hazardous Substances Data)

453565-90-7 Usage

Uses

Used in Organic Synthesis:
3-Bromo-5-(trifluoromethoxy)Benzoicacid is used as a building block in organic synthesis for the creation of a variety of chemical compounds. Its unique functional groups allow for further chemical reactions, facilitating the development of new molecules with specific properties.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-Bromo-5-(trifluoromethoxy)Benzoicacid is utilized as a key intermediate for the synthesis of pharmaceutical compounds. Its presence in the molecular structure can influence the pharmacological activity, selectivity, and potency of the resulting drugs.
Used in Pharmaceutical Industry:
3-Bromo-5-(trifluoromethoxy)Benzoicacid is used as a precursor in the pharmaceutical industry for the production of drugs. Its reactivity and structural features make it suitable for the development of new therapeutic agents with improved efficacy and safety profiles.
Used in Agrochemical Industry:
3-Bromo-5-(trifluoromethoxy)Benzoicacid also finds applications in the agrochemical industry, where it serves as a starting material for the synthesis of agrochemicals such as pesticides and herbicides. Its chemical properties contribute to the effectiveness of these products in agricultural settings.

Check Digit Verification of cas no

The CAS Registry Mumber 453565-90-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,3,5,6 and 5 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 453565-90:
(8*4)+(7*5)+(6*3)+(5*5)+(4*6)+(3*5)+(2*9)+(1*0)=167
167 % 10 = 7
So 453565-90-7 is a valid CAS Registry Number.

453565-90-7 Well-known Company Product Price

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  • Alfa Aesar

  • (H26500)  3-Bromo-5-(trifluoromethoxy)benzoic acid, 97%   

  • 453565-90-7

  • 1g

  • 962.0CNY

  • Detail
  • Alfa Aesar

  • (H26500)  3-Bromo-5-(trifluoromethoxy)benzoic acid, 97%   

  • 453565-90-7

  • 5g

  • 2948.0CNY

  • Detail

453565-90-7Relevant articles and documents

Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists

-

, (2008/06/13)

The present invention provides compounds and pharmaceutical compositions that act as antagonists at metabotropic glutamate receptors, and that are useful for treating neurological diseases and disorders. Methods of preparing the compounds also are disclosed.

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