The 3-Formylphenylboronic acid, with the CAS registry number 87199-16-4, is also known as 3-(Dihydroxyboryl)benzaldehyde. It belongs to the product categories of Aldehyde; Aldehydes; Blocks; Boronic Acids; Boronic Acid Series; Boron, Nitrile, Thio,& TM-Cpds; Carbonyl Compounds; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic acids; Boronic Acid; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids & Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C7H7BO3 and molecular weight is 149.93968. Its IUPAC name is called (3-formylphenyl)boronic acid. The product which is off-white cryst should be sealed and stored at 0-6 °C.
Physical properties of 3-Formylphenylboronic acid: (1)ACD/LogP: 0.51; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): 0.376; (4)ACD/BCF (pH 5.5): 1.437; (5)ACD/BCF (pH 7.4): 1.054; (6)ACD/KOC (pH 5.5): 45.051; (7)ACD/KOC (pH 7.4): 33.065; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 38.257 cm3; (13)Molar Volume: 120.525 cm3; (14)Surface Tension: 49.006 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 168.128 °C; (17)Enthalpy of Vaporization: 63.252 kJ/mol; (18)Boiling Point: 354.388 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
Uses of 3-Formylphenylboronic acid: it can be used to produce 3-(6-methoxy-7-oxo-cyclohepta-1,3,5-trienyl)-benzaldehyde at temperature of 100 °C. This reaction will need reagent palladium tetrakistriphenylphosphine, 2 M aq. Na2CO3 and solvent toluene, ethanol with reaction time of 16 hours. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. Besides, it may destroy living tissue on contact and may cause burns. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=CC=C1)C=O)(O)O
(2)InChI: InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H
(3)InChIKey: HJBGZJMKTOMQRR-UHFFFAOYSA-N
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