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CAS No.: | 243140-14-9 |
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Name: | 2-(2-METHYL-1,3-DIOXOLAN-2-YL)PHENYLBORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H13BO4 |
Molecular Weight: | 208.02 |
Synonyms: | 2-(2-Methyl-1,3-dioxolan-2-yl)benzeneboronic acid 97%; |
Density: | 1.24 g/cm3 |
Melting Point: | 117-120 °C |
Boiling Point: | 382.4 °C at 760 mmHg |
Flash Point: | 185.1 °C |
Hazard Symbols: | Xi |
PSA: | 58.92000 |
LogP: | -0.41410 |
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The Boronic acid,[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]- (9CI), with the CAS registry number 243140-14-9, is also known as 2-(2-Methyl-1,3-dioxolan-2-yl)benzeneboronic acid 97%. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid. This chemical's molecular formula is C10H13BO4 and molecular weight is 208.02. Its systematic name is called [2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Boronic acid,[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]- (9CI): (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.69; (5)ACD/BCF (pH 7.4): 8.04; (6)ACD/KOC (pH 5.5): 163.61; (7)ACD/KOC (pH 7.4): 151.23; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 53.25 cm3; (13)Molar Volume: 166.7 cm3; (14)Surface Tension: 47.4 dyne/cm; (15)Density: 1.24 g/cm3; (16)Flash Point: 185.1 °C; (17)Enthalpy of Vaporization: 66.54 kJ/mol; (18)Boiling Point: 382.4 °C at 760 mmHg; (19)Vapour Pressure: 1.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(OCC1)(c2c(cccc2)B(O)O)C
(2)InChI: InChI=1/C10H13BO4/c1-10(14-6-7-15-10)8-4-2-3-5-9(8)11(12)13/h2-5,12-13H,6-7H2,1H3
(3)InChIKey: LQXLVSDIQAVYOM-UHFFFAOYAJ