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3-Furylboronic Acid

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Name

3-Furylboronic Acid

EINECS -0
CAS No. 55552-70-0 Density 1.25 g/cm3
PSA 53.60000 LogP -1.04060
Solubility N/A Melting Point 139-144 °C (dec.)(lit.)
Formula C4H5BO3 Boiling Point 247.7 °C at 760 mmHg
Molecular Weight 111.893 Flash Point 103.6 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 36/37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 55552-70-0 (3-Furanboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, 3-furanyl- (9CI);3-Furanylboronic acid;3-Furylboric acid;Furan-3-boronic acid;

Article Data 7

3-Furylboronic Acid Standards and Recommendations

Assay of Furan-3-boronic acid: >97

3-Furylboronic Acid Specification

The Boronic acid,B-3-furanyl-, with the CAS registry number 55552-70-0, is also known as 3-Furylboric acid. It belongs to the product categories of Blocks; Boronic Acids; Heterocycles; Boronic Acid; Furan; Organoborons; B (Classes of Boron Compounds); Boronic Acids and Derivatives; Heteroaryl. This chemical's molecular formula is C4H5BO3 and molecular weight is 111.89. What's more, its systematic name is furan-3-ylboronic acid. It should be sealed and stored at the temperature of 0 - 6 °C.

Physical properties of Boronic acid,B-3-furanyl- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 2.18; (6)ACD/BCF (pH 7.4): 1.71; (7)ACD/KOC (pH 5.5): 60.77; (8)ACD/KOC (pH 7.4): 47.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.6 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 25.77 cm3; (15)Molar Volume: 89 cm3; (16)Polarizability: 10.21×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 103.6 °C; (20)Enthalpy of Vaporization: 51.24 kJ/mol; (21)Boiling Point: 247.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0134 mmHg at 25°C.

Uses of Boronic acid,B-3-furanyl-: it can be used to produce N-[2-(3-furyl)benzyl]benzamide by heating. It will need reagents tetrakis(triphenylphosphine)palladium(0), aq. Na2CO3 and solvent 1,2-dimethoxy-ethane with the reaction time of 2 hours. The yield is about 77%.

Boronic acid,B-3-furanyl- can be used to produce N-[2-(3-furyl)benzyl]benzamide by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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: OB(O)c1ccoc1
(2)Std. InChI: InChI=1S/C4H5BO3/c6-5(7)4-1-2-8-3-4/h1-3,6-7H
(3)Std. InChIKey: CYEFKCRAAGLNHW-UHFFFAOYSA-N

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