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3-borono-5-hydroxybenzotrifluoride, with the molecular formula C7H5BF3O2, is a boron-containing organic compound that serves as a versatile building block in organic synthesis. Characterized by its white or off-white appearance and insolubility in water, 3-borono-5-hydroxybenzotrifluoride is a valuable reagent in organic reactions, especially for the formation of carbon-carbon and carbon-heteroatom bonds. Its selective binding to biological targets has also made it a promising candidate in the development of pharmaceuticals and agrochemicals, showcasing its potential across various industries.

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  • 957062-66-7 Structure
  • Basic information

    1. Product Name: 3-borono-5-hydroxybenzotrifluoride
    2. Synonyms: 3-borono-5-hydroxybenzotrifluoride;3-Hydroxy-5-(trifluoromethyl)phenylboronic acid;3-Hydroxy-5-trifluoromethylphenylboronic acid
    3. CAS NO:957062-66-7
    4. Molecular Formula: C7H6BF3O3
    5. Molecular Weight: 205.93
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids;FluoroCompounds
    8. Mol File: 957062-66-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 362.5°Cat760mmHg
    3. Flash Point: 173°C
    4. Appearance: /
    5. Density: 1.5g/cm3
    6. Vapor Pressure: 6.86E-06mmHg at 25°C
    7. Refractive Index: 1.495
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 7.28±0.10(Predicted)
    11. CAS DataBase Reference: 3-borono-5-hydroxybenzotrifluoride(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-borono-5-hydroxybenzotrifluoride(957062-66-7)
    13. EPA Substance Registry System: 3-borono-5-hydroxybenzotrifluoride(957062-66-7)
  • 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: 957062-66-7(Hazardous Substances Data)

957062-66-7 Usage

Uses

Used in Organic Synthesis:
3-borono-5-hydroxybenzotrifluoride is used as a building block for the synthesis of various organic compounds, facilitating the formation of carbon-carbon and carbon-heteroatom bonds. Its reactivity and selectivity make it a valuable reagent in this field.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 3-borono-5-hydroxybenzotrifluoride is used as a key intermediate in the synthesis of drug candidates. Its ability to selectively bind to biological targets allows for the development of more effective and targeted therapeutic agents.
Used in Agrochemical Development:
Similarly, in the agrochemical industry, 3-borono-5-hydroxybenzotrifluoride is utilized as a starting material for the synthesis of agrochemicals. Its selective binding properties contribute to the creation of more efficient and environmentally friendly products.
Overall, 3-borono-5-hydroxybenzotrifluoride is a multifaceted chemical compound with applications spanning across organic synthesis, pharmaceuticals, and agrochemicals, highlighting its importance and versatility in the scientific community.

Check Digit Verification of cas no

The CAS Registry Mumber 957062-66-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,7,0,6 and 2 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 957062-66:
(8*9)+(7*5)+(6*7)+(5*0)+(4*6)+(3*2)+(2*6)+(1*6)=197
197 % 10 = 7
So 957062-66-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BF3O3/c9-7(10,11)4-1-5(8(13)14)3-6(12)2-4/h1-3,12-14H

957062-66-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-Hydroxy-5-(trifluoromethyl)phenyl)boronic acid

1.2 Other means of identification

Product number -
Other names [3-hydroxy-5-(trifluoromethyl)phenyl]boronic 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:957062-66-7 SDS

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