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CAS No.: | 269409-99-6 |
---|---|
Name: | 2-Ethoxycarbonylphenylboronic acid pinacol ester |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C15H21BO4 |
Molecular Weight: | 276.14 |
Synonyms: | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid ethyl ester;Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate; |
Density: | 1.07 g/cm3 |
Melting Point: | 60-65 °C |
Boiling Point: | 378 °C at 760 mmHg |
Flash Point: | 182.4 °C |
Safety: | 24/25 |
PSA: | 44.76000 |
LogP: | 2.16250 |
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This chemical is called 2-Ethoxycarbonylphenylboronic acid pinacol ester, and its systematic name is ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. With the molecular formula of C15H21BO4, its molecular weight is 276.14. The CAS registry number of this chemical is 269409-99-6, and its product categories are Heterocyclic Compounds.
Other characteristics of the 2-Ethoxycarbonylphenylboronic acid pinacol ester can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 75.2 cm3; (7)Molar Volume: 256.9 cm3; (8)Polarizability: 29.81×10-24cm3; (9)Surface Tension: 35.1 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 182.4 °C; (12)Enthalpy of Vaporization: 62.59 kJ/mol; (13)Boiling Point: 378 °C at 760 mmHg; (14)Vapour Pressure: 6.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2ccccc2B1OC(C)(C)C(O1)(C)C
2.InChI: InChI=1/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
3.InChIKey: RFBZWPFBCXBBJS-UHFFFAOYAO
4.Std. InChI: InChI=1S/C15H21BO4/c1-6-18-13(17)11-9-7-8-10-12(11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
5.Std. InChIKey: RFBZWPFBCXBBJS-UHFFFAOYSA-N