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CAS No.: | 779335-05-6 |
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Name: | 5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H15BO4S |
Molecular Weight: | 254.115 |
Synonyms: | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid; |
Density: | 1.235 g/cm3 |
Melting Point: | 176-181°C |
Boiling Point: | 403.444 °C at 760 mmHg |
Flash Point: | 197.796 °C |
PSA: | 84.00000 |
LogP: | 1.74550 |
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The 2-Thiophenecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 779335-05-6, is also known as 5-Carboxylthiophene-2-boronic acid pinacol ester. This chemical's molecular formula is C11H15BO4S and molecular weight is 254.1104. What's more, its systematic name is called 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid.
Physical properties about 2-Thiophenecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 84 Å2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 63.874 cm3; (7)Molar Volume: 205.8 cm3; (8)Surface Tension: 43.064 dyne/cm; (9)Density: 1.235 g/cm3; (10)Flash Point: 197.796 °C; (11)Enthalpy of Vaporization: 69.043 kJ/mol; (12)Boiling Point: 403.444 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(s2)C(=O)O
(2) InChI: InChI=1/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
(3) InChIKey: YLZRZHOUXZZBTF-UHFFFAOYAI