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Name |
Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- |
EINECS | N/A |
CAS No. | 95752-86-6 | Density | 1.08 g/cm3 |
PSA | 35.53000 | LogP | 1.26730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15BO3 | Boiling Point | 355.6 °C at 760 mmHg |
Molecular Weight | 218.06 | Flash Point | 168.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2-Formylphenyl)boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester;2-Formylbenzeboronic acid, neopentyl glycol ester;2-Boronobenzaldehyde, neopentyl glycol ester; |
Article Data | 6 |
The Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, with the CAS registry number 95752-86-6, is also known as (2-Formylphenyl)boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester. It belongs to the product categories of Classes of Aldehydes; Blocks; Boronic Acids. This chemical's molecular formula is C12H15BO3 and molecular weight is 218.06. What's more, its systematic name is 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde. It is irritant and may cause inflammation to the skin or other mucous membranes, thus it needs to be stored in cold temperature.
Physical properties of Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 35.53 Å2; (5)Index of Refraction: 1.504; (6)Molar Refractivity: 59.78 cm3; (7)Molar Volume: 201.6 cm3; (8)Polarizability: 23.7×10-24 cm3; (9)Surface Tension: 35.6 dyne/cm; (10)Density: 1.08 g/cm3; (11)Flash Point: 168.8 °C; (12)Enthalpy of Vaporization: 60.07 kJ/mol; (13)Boiling Point: 355.6 °C at 760 mmHg; (14)Vapour Pressure: 3.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c(B1OCC(C)(C)CO1)cccc2
(2)InChI: InChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-7H,8-9H2,1-2H3
(3)InChIKey: BJRXNDLMZZAOAB-UHFFFAOYSA-N