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CAS No.: | 850567-60-1 |
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Name: | ETHYL 2-BORONOBENZOATE, PROPANEDIOL CYCLIC ESTER |
Molecular Structure: | |
Formula: | C12H15BO4 |
Molecular Weight: | 234.06 |
Synonyms: | Ethyl 2-(1,3,2-dioxaborinan-2-yl)benzoate;Ethyl 2-boronobenzoate, propanediol cyclic ester; |
Density: | 1.12 g/cm3 |
Boiling Point: | 380.3 °C at 760 mmHg |
Flash Point: | 183.8 °C |
Hazard Symbols: | Xi |
PSA: | 44.76000 |
LogP: | 0.99540 |
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The Benzoic acid,2-(1,3,2-dioxaborinan-2-yl)-, ethyl ester, with the CAS registry number 850567-60-1, is also known as Ethyl 2-boronobenzoate, propanediol cyclic ester. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C12H15BO4 and molecular weight is 234.06. What's more, its systematic name is ethyl 2-(1,3,2-dioxaborinan-2-yl)benzoate.
Physical properties of Benzoic acid,2-(1,3,2-dioxaborinan-2-yl)-, ethyl ester are: (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: 1.503; (6)Molar Refractivity: 61.29 cm3; (7)Molar Volume: 207.2 cm3; (8)Polarizability: 24.29×10-24cm3; (9)Surface Tension: 37.5 dyne/cm; (10)Density: 1.12 g/cm3; (11)Flash Point: 183.8 °C; (12)Enthalpy of Vaporization: 62.84 kJ/mol; (13)Boiling Point: 380.3 °C at 760 mmHg; (14)Vapour Pressure: 5.51E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OCCCO1)c2ccccc2C(=O)OCC
(2)InChI: InChI=1S/C12H15BO4/c1-2-15-12(14)10-6-3-4-7-11(10)13-16-8-5-9-17-13/h3-4,6-7H,2,5,8-9H2,1H3
(3)InChIKey: WDJJRUITQLOHBH-UHFFFAOYSA-N