E-PHENYLETHENYLBORONIC ACID

The CAS register number of Boronic acid,B-[(1E)-2-phenylethenyl]- is 6783-05-7. It also can be called as Boronicacid, (2-phenylethenyl)-, (E)- and the systematic name about this chemical is [(E)-2-phenylethenyl]boronic acid. The molecular formula about this chemical is C₈H₉BO₂ and the molecular weight is 147.97. It belongs to the following product categories which include blocks; BoronicAcids; Alkenyl; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids and so on.

Physical properties about Boronic acid,B-[(1E)-2-phenylethenyl]- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 52.8; (5)ACD/BCF (pH 7.4): 52.26; (6)ACD/KOC (pH 5.5): 595.18; (7)ACD/KOC (pH 7.4): 589.06; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 44 cm³; (14)Molar Volume: 130.8 cm³; (15)Polarizability: 17.44x10^-24cm³; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 144.9 °C; (19)Enthalpy of Vaporization: 58.83 kJ/mol; (20)Boiling Point: 315.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000179 mmHg at 25 °C.

Uses of Boronic acid,B-[(1E)-2-phenylethenyl]-: it can be used to produce 1,4-diphenyl-1,3-butadiene. This reaction will need reagent of aq. KOH, Pd(PPh₃)₄, 1-bromo-2-iodoethene and solvent of tetrahydrofuran. The reaction time is 10 hours with reaction temperature of 60 °C. The yield is about 10%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)\C=C\c1ccccc1
(2)InChI: InChI=1/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H/b7-6+
(3)InChIKey: VKIJXFIYBAYHOE-VOTSOKGWBE
(4)Std. InChI: InChI=1S/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H/b7-6+
(5)Std. InChIKey: VKIJXFIYBAYHOE-VOTSOKGWSA-N