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4-Fluorobenzeneboronic acid

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Name

4-Fluorobenzeneboronic acid

EINECS 605-778-0
CAS No. 1765-93-1 Density 1.24 g/cm3
PSA 40.46000 LogP -0.49450
Solubility Slightly soluble in water Melting Point 262-265 °C(lit.)
Formula C6H6BFO2 Boiling Point 258.4 °C at 760 mmHg
Molecular Weight 139.922 Flash Point 110.1 °C
Transport Information N/A Appearance yellow to beige crystalline or fluffy powder
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1765-93-1 (4-Fluorobenzeneboronic acid) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid;4-Fluoro Phenylboric Acid;4-fluorophenylboronic acid (IM OCS);4-Fluoro phenylboronic acid;

Article Data 48

4-Fluorobenzeneboronic acid 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

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