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2-Fluorophenylboronic acid

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Name

2-Fluorophenylboronic acid

EINECS -0
CAS No. 1993-03-9 Density 1.24 g/cm3
PSA 40.46000 LogP -0.49450
Solubility N/A Melting Point 101-110 °C(lit.)
Formula C6H6BFO2 Boiling Point 267.8 °C at 760 mmHg
Molecular Weight 139.922 Flash Point 115.8 °C
Transport Information N/A Appearance white to light yellow crystalline powder
Safety 26-36/37/39-27 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 1993-03-9 (2-Fluorophenylboronic acid) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

Boronic acid, B-(2-fluorophenyl)-;o-Fluorphenylborsaeure;

Article Data 13

2-Fluorophenylboronic acid Specification

This product is an organic compound with the formula C6H6BFO2. The systematic name of this chemical is 2-Fluorophenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; FluoroCompounds; Substituted Boronic Acids; Heterocyclic Compounds; Aryl; Fluorinated; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives. With the CAS registry number 1993-03-9, it is also named as o-Fluorphenylborsaeure. In addition, the molecular weight is 139.92. It should be sealed and stored at the temperature of 0 - 6 °C.

Physical properties of 2-Fluorophenylboronic acid are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 10.39; (6)ACD/BCF (pH 7.4): 9.3; (7)ACD/KOC (pH 5.5): 185.8; (8)ACD/KOC (pH 7.4): 166.31; (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: 1.508; (14)Molar Refractivity: 33.4 cm3; (15)Molar Volume: 111.9 cm3; (16)Polarizability: 13.24×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 115.8 °C; (20)Enthalpy of Vaporization: 53.44 kJ/mol; (21)Boiling Point: 267.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00395 mmHg at 25°C.

Uses of 2-Fluorophenylboronic acid: it can be used to produce 4-(2-fluoro-phenyl)-2-phenyl-quinazoline at the temperature of 90 °C. It will need reagent K2CO3 and solvent 1,2-dimethoxy-ethane. This reaction will also need catalyst Pd(PPh3)4. The yield is about 96%.

2-Fluorophenylboronic acid can be used to produce 4-(2-fluoro-phenyl)-2-phenyl-quinazoline at the temperature of 90 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1B(O)O
(2)Std. InChI: InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
(3)Std. InChIKey: QCSLIRFWJPOENV-UHFFFAOYSA-N

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