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144025-03-6

Basic Information
CAS No.: 144025-03-6
Name: 2,4-Difluorophenylboronic acid
Molecular Structure:
Molecular Structure of 144025-03-6 (2,4-Difluorophenylboronic acid)
Formula: C6H5BF2O2
Molecular Weight: 157.91
Synonyms: 2,4-Difluorobenzeneboronic acid;2,4-Difluorobenzene boronic acid;
EINECS: -0
Density: 1.35 g/cm3
Melting Point: 247-250 ºC
Boiling Point: 251 ºC at 760 mmHg
Flash Point: 105.6 ºC
Solubility:
Appearance: off-white to light beige or yellow powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-22
Safety: 37/39-26-36
Transport Information:
PSA: 40.46000
LogP: -0.35540
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  • 2,4-Difluorophenylboronic acid

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  • 2,4-Difluorophenylboronic acid

  • Casno:

    144025-03-6

    2,4-Difluorophenylboronic acid

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Specification

The 2,4-Difluorophenylboronic acid, with the CAS registry number 144025-03-6, is also known as Boronic acid, B-(2,4-difluorophenyl)-. It belongs to the product categories of Blocks; BoronicAcids; Fluoro Compounds; Boric Acid; Substituted Boronic Acids; Fluorobenzene; Boronic Acid; Aryl; Halogenated; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C6H5BF2O2 and molecular weight is 157.91. What's more, both its IUPAC name and systematic name are the same which is called (2,4-Difluorophenyl)boronic acid.

Physical properties about 2,4-Difluorophenylboronic acid are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 12.15; (6)ACD/BCF (pH 7.4): 11.2; (7)ACD/KOC (pH 5.5): 207.87; (8)ACD/KOC (pH 7.4): 191.61; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 33.51 cm3; (15)Molar Volume: 116.7 cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 105.6 °C; (19)Enthalpy of Vaporization: 51.6 kJ/mol; (20)Boiling Point: 251 °C at 760 mmHg; (21) Vapour Pressure: 0.011 mmHg at 25 °C.

Uses of 2,4-Difluorophenylboronic acid: it is used to produce other chemicals. For example, it can react with 2-Bromo-1,3-dimethyl-benzene to get 2,4-Difluoro-2',6'-dimethyl-biphenyl. The reaction occurs with reagents K2CO3, cis,cis,cis-1,2,3,4-Tetrakis(diphenylphosphinomethyl)cyclopentane and solvent xylene at temperature of 130 °C. The reaction time is 20 hours. The yield is 60 %.

2,4-Difluorophenylboronic acid can react with 2-Bromo-1,3-dimethyl-benzene to get 2,4-Difluoro-2',6'-dimethyl-biphenyl.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. If swallowed, it's harmful to health. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(F)ccc1B(O)O
(2) InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
(3) InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N