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1765-93-1

Basic Information
CAS No.: 1765-93-1
Name: 4-Fluorobenzeneboronic acid
Article Data: 48
Cas Database
Molecular Structure:
Molecular Structure of 1765-93-1 (4-Fluorobenzeneboronic acid)
Formula: C6H6BFO2
Molecular Weight: 139.922
Synonyms: 4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid;4-Fluoro Phenylboric Acid;4-fluorophenylboronic acid (IM OCS);4-Fluoro phenylboronic acid;
EINECS: 605-778-0
Density: 1.24 g/cm3
Melting Point: 262-265 °C(lit.)
Boiling Point: 258.4 °C at 760 mmHg
Flash Point: 110.1 °C
Solubility: N/A
Appearance: yellow to beige crystalline or fluffy powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36-37/39
Transport Information: N/A
PSA: 40.46000
LogP: -0.49450
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Specification

The 4-Fluorobenzeneboronic acid is an organic compound with the formula C6H6BFO2. The IUPAC name of this chemical is (4-fluorophenyl)boronic acid. With the CAS registry number 1765-93-1, it is also named as Boronic acid, B-(4-fluorophenyl)-. The product's categories are Fluorin-contained Phenyl Boronic Acid Series; Blocks; BoronicAcids; FluoroCompounds; Boronic Acid Series; Substituted Boronic Acids; Fluorobenzene; Boronic Acid; Aryl; Halogenated; Organoborons; B (Classes of Boron Compounds); Boronic Acids. Besides, it is a yellow to beige crystalline or fluffy powder, which should be stored in a closed place at temperature of 0 - 6 °C. It is used reagents in organic synthesis in Suzuki coupling reaction.

Physical properties about 4-Fluorobenzeneboronic acid are: (1)ACD/LogP: 1.64; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 18.46 Å2; (6)Index of Refraction: 1.508; (7)Molar Refractivity: 33.4 cm3; (8)Molar Volume: 111.9 cm3; (9)Polarizability: 13.24×10-24cm3; (10)Surface Tension: 38.6 dyne/cm; (11)Density: 1.24 g/cm3; (12)Flash Point: 110.1 °C; (13)Enthalpy of Vaporization: 52.41 kJ/mol; (14)Boiling Point: 258.4 °C at 760 mmHg; (15)Vapour Pressure: 0.00703 mmHg at 25°C.

Uses of 4-Fluorobenzeneboronic acid: it can be used to produce 4-Methoxy-4'-Fluordiphenylmethanol at temperature of 25 - 28 °C. This reaction is a kind of Arylation. It will need reagent Rh(acac)(cyclooctene)2, tri(tert-butyl)phosphine and solvent 1,2-dimethoxy-ethane, H2O with reaction time of 16 hours. The yield is about 68%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(B(O)O)cc1
(2)InChI: InChI=1/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
(3)InChIKey: LBUNNMJLXWQQBY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
(5)Std. InChIKey: LBUNNMJLXWQQBY-UHFFFAOYSA-N