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CAS No.: | 6783-05-7 |
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Name: | E-PHENYLETHENYLBORONIC ACID |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C8H9BO2 |
Molecular Weight: | 147.969 |
Synonyms: | Boronicacid, (2-phenylethenyl)-, (E)-;Boronic acid, [(1E)-2-phenylethenyl]- (9CI);Etheneboronic acid, 2-phenyl-, (E)- (8CI);(E)-(2-Phenylethenyl)boronic acid;trans-(2-Phenylethenyl)boronic acid;trans-2-Phenylvinylboronic acid;trans-3-Phenylprop-2-en-1-ylboronic acid;trans-Phenylvinyl boronic acid;trans-b-Styreneboronic acid;(E)-(2-Phenylvinyl)boronic acid;(E)-(b-Phenylethenyl)boronic acid;(E)-Phenylethenylboronicacid;(E)-Styreneboronic acid;(E)-Styrylboronic acid;(E)-b-Styreneboronic acid;[(1E)-2-Phenylethenyl]boronic acid;trans-Styrylboronic acid; |
Density: | 1.13 g/cm3 |
Melting Point: | 146-156 °C(lit.) |
Boiling Point: | 315.9 °C at 760 mmHg |
Flash Point: | 144.9 °C |
Appearance: | Brown granular powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 40.46000 |
LogP: | 0.71180 |
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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