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Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-

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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 Molecular Structure of 95752-86-6 ((2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER) Hazard Symbols IrritantXi
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

Benzaldehyde,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)- Specification

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

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