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CAS No.: | 4688-76-0 |
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Name: | 2-BIPHENYLBORONIC ACID |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C12H11BO2 |
Molecular Weight: | 198.029 |
Synonyms: | 2-Biphenylboronicacid (6CI,7CI);Boronic acid, [1,1'-biphenyl]-2-yl- (9CI);(1,1'-Biphenyl-2-yl)boronic acid;(2-Phenylphenyl)boronic acid;1,1'-Biphenyl-2-boronic acid;Biphenyl-2-ylboronic acid; |
EINECS: | -0 |
Density: | 1.18 g/cm3 |
Melting Point: | 167-172 °C(lit.) |
Boiling Point: | 404 °C at 760 mmHg |
Flash Point: | 198.1 °C |
Solubility: | Insoluble in water. |
Appearance: | off-white powder |
Hazard Symbols: | C,Xi,Xn |
Risk Codes: | 36/37/38-20/21/ |
Safety: | 26-36 |
PSA: | 40.46000 |
LogP: | 1.03340 |
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This chemical is called 2-Biphenylylboronic acid, and its systematic name is Biphenyl-2-ylboronic acid. With the CAS registry number of 4688-76-0, its product categories are Blocks; Boronic Acids & Esters; Ring Systems;Aryl; Boronic Acids and Derivatives. Additionally, this chemical is off-white powder. It should be sealed in the dry place, away from light.
Other characteristics of the 2-Biphenylylboronic acid can be summarised as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 205.61; (6)ACD/BCF (pH 7.4): 190.58; (7)ACD/KOC (pH 5.5): 1574.54; (8)ACD/KOC (pH 7.4): 1459.44; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 57.99 cm3; (15)Molar Volume: 167.1 cm3; (16)Polarizability: 22.99×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 198.1 °C; (20)Enthalpy of Vaporization: 69.1 kJ/mol; (21)Boiling Point: 404 °C at 760 mmHg; (22)Vapour Pressure: 2.99E-07 mmHg at 25°C.
Uses of this chemical: The 2-Biphenylylboronic acid could react with 2-bromo-1,3-dimethoxy-benzene, and obtain the 2,6-dimethoxy-[1,1';2',1'']terphenyl. This reaction needs the reagent of Pd(PPh3)4, Ba(OH)2*8H2O, and the solvent of dioxane. The yield is 63 %.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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)c2ccccc2c1ccccc1
2.InChI: InChI=1/C12H11BO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,14-15H
3.InChIKey: HYCYKHYFIWHGEX-UHFFFAOYAK