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CAS

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847818-77-3

1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is a complex organic chemical compound characterized by a pyrazole ring fused with a boron-containing 1,3,2-dioxaborolane group. It is defined by its molecular formula C14H25BN2O2 and possesses a molecular weight of 262.176 g/mol. 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is notable for its potential applications in medicinal chemistry, particularly due to its biological activities such as anti-inflammatory and anticancer properties. Moreover, it serves as a valuable building block in organic synthesis for creating a variety of functionalized compounds, making it a subject of interest for research and development in pharmaceuticals and chemical synthesis.

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  • 1-(3-METHYLBUTYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

    Cas No: 847818-77-3

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  • 847818-77-3 Structure

  • Basic information

    1. Product Name: 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
    2. Synonyms: 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;1-Isopentyl-1H-pyrazole-5-boronic acid, pinacol ester
    3. CAS NO:847818-77-3
    4. Molecular Formula: C14H25BN2O2
    5. Molecular Weight: 264.1715
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 847818-77-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 362.8°C at 760 mmHg
    3. Flash Point: 173.2°C
    4. Appearance: /
    5. Density: 1.01g/cm3
    6. Vapor Pressure: 3.94E-05mmHg at 25°C
    7. Refractive Index: 1.5
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(847818-77-3)
    12. EPA Substance Registry System: 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(847818-77-3)

  • 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: 847818-77-3(Hazardous Substances Data)

847818-77-3 Usage

Uses

Used in Medicinal Chemistry:
1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is used as a pharmaceutical intermediate for its anti-inflammatory and anticancer properties, offering a promising avenue for the development of new therapeutic agents.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is utilized as a key building block for the preparation of diverse functionalized compounds, contributing to the advancement of chemical libraries and the discovery of novel molecules with specific applications.
Used in Pharmaceutical Research and Development:
1-(3-Methylbutyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is employed in pharmaceutical research and development as a structural template to explore new drug candidates, leveraging its unique properties to enhance the therapeutic potential of medications in various disease areas.

Check Digit Verification of cas no

The CAS Registry Mumber 847818-77-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,7,8,1 and 8 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 847818-77:
(8*8)+(7*4)+(6*7)+(5*8)+(4*1)+(3*8)+(2*7)+(1*7)=223
223 % 10 = 3
So 847818-77-3 is a valid CAS Registry Number.
InChI:InChI=1/C14H25BN2O2/c1-11(2)8-10-17-12(7-9-16-17)15-18-13(3,4)14(5,6)19-15/h7,9,11H,8,10H2,1-6H3

847818-77-3SDS

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 1-(3-Methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1.2 Other means of identification

Product number -
Other names 1-(3-methylbutyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

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:847818-77-3 SDS

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