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2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is an organoboron compound with the molecular formula C12H17BF2O3. It is a boronic acid derivative known for its unique structure and properties, making it a valuable tool in organic synthesis, medicinal chemistry, and the development of pharmaceuticals, agrochemicals, and materials science. Its potential applications have garnered interest among researchers in various fields of chemistry and chemical engineering.

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  • 121219-20-3 Structure
  • Basic information

    1. Product Name: 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID
    2. Synonyms: 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID;2,3-difluoro-4-(hexyloxy)phenylboronic acid;(2,3-difluoro-4-hexoxyphenyl)boronic acid
    3. CAS NO:121219-20-3
    4. Molecular Formula: C12H17BF2O3
    5. Molecular Weight: 258.07
    6. EINECS: N/A
    7. Product Categories: Boronic acid
    8. Mol File: 121219-20-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 368.5°C at 760 mmHg
    3. Flash Point: 176.7°C
    4. Appearance: /
    5. Density: 1.16g/cm3
    6. Vapor Pressure: 4.42E-06mmHg at 25°C
    7. Refractive Index: 1.482
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID(121219-20-3)
    12. EPA Substance Registry System: 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID(121219-20-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 121219-20-3(Hazardous Substances Data)

121219-20-3 Usage

Uses

Used in Organic Synthesis:
2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is used as a reagent in organic synthesis for its ability to form carbon-carbon bonds through Suzuki coupling reactions. This allows for the creation of complex organic molecules and contributes to the advancement of chemical research and development.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is utilized as a key intermediate in the synthesis of pharmaceutical compounds. Its unique properties enable the development of new drugs with potential therapeutic benefits.
Used in Pharmaceutical Development:
2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is employed in the development of pharmaceuticals due to its potential to enhance the properties of drug candidates. Its incorporation into drug molecules can improve their efficacy, selectivity, and pharmacokinetic profiles.
Used in Agrochemicals:
In agrochemical research, 2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is used as a building block for the synthesis of novel agrochemicals. Its unique structure allows for the development of more effective and environmentally friendly pesticides and herbicides.
Used in Materials Science:
2,3-DIFLUORO-4-(N-HEXYLOXY)PHENYLBORONIC ACID is utilized in materials science for the development of new materials with improved properties. Its incorporation into materials can enhance their performance, durability, and functionality in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 121219-20-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,1,2,1 and 9 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 121219-20:
(8*1)+(7*2)+(6*1)+(5*2)+(4*1)+(3*9)+(2*2)+(1*0)=73
73 % 10 = 3
So 121219-20-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H17BF2O3/c1-2-3-4-5-8-18-10-7-6-9(13(16)17)11(14)12(10)15/h6-7,16-17H,2-5,8H2,1H3

121219-20-3SDS

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 2,3-Difluoro-4-(N-hexyloxy)phenylboronic acid

1.2 Other means of identification

Product number -
Other names (2,3-difluoro-4-hexoxyphenyl)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:121219-20-3 SDS

121219-20-3Relevant articles and documents

The synthesis and electro-optic properties of liquid crystalline 2- (2,3-difluorobiphenyl-4'-yl)-1,3-dioxanes

Dong, Chu Chuan,Styring, Peter,Goodby, John W.,Chan, Lawrence K. M.

, p. 1669 - 1677 (2007/10/03)

Fifty-six novel alkyl and/or alkoxy disubstituted 2-(2,3- difluorobiphenyl-4'-yl)-1,3-dioxanes (DFBPD) were prepared. Smectic C and nematic mesophases were exhibited by most of the alkyl-alkoxy homologues. Conversely, most of the dialkyl compounds exhibited smectic C, smectic A and nematic phases. The birefringence (Δn), dielectric anisotropy (Δε), spontaneous polarisation and response times of two ferroelectric mixtures formulated from the dioxanyl systems were determined. The birefringence results were compared with eight other groups of mixtures where the materials were based on different core systems. The overall electro-optic properties of the DFBPDs were found to be comparable to the best of the eight most commonly used materials in ferroelectric display devices.

Dioxane derivatives

-

, (2008/06/13)

Dioxane derivatives for use as components in liquid crystal devices (LCDs) of general formula (A), wherein X is CH or B; R1, R2 are each A1, OA1, OCOA2, or COOA2 ; A1 is a straight or branched chain alkyl group containing from 1 to 20 carbon atoms and may be substituted with one or more F or CN. A2 is a straight or branched chain alkyl group containing from 1 to 20 carbon atoms and may be substituted with one or more F or CN and if straight may be unsubstituted. Y1, Y2, Y3 may each be (CH2)p, (CH2)p COO or OCO(CH2)p ; p is from 0 to 10, n is 0 or 1, m is 0 or 1, either or both of Z1 and Z2 are F and, when not F, are H; Y4 is a covalent bond or, when n is 0, may be (a) LCDs, containing the devices exhibit very fast switching speed, bi-stable characteristics, enhanced greyscale and storage capabilities and a wide viewing angle.

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