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CAS No.: | 214360-78-8 |
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Name: | 2,4,6-TRIMETHYLBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C14H21BO2 |
Molecular Weight: | 232.131 |
Synonyms: | 1,3,2-Dioxaborinane, 5,5-dimethyl-2-(2,4,6-trimethylphenyl)-; |
EINECS: | -0 |
Density: | 0.98 g/cm3 |
Melting Point: | 46-48 °C |
Boiling Point: | 339.91 °C at 760 mmHg |
Flash Point: | 159.372 °C |
Safety: | 22-24/25 |
PSA: | 18.46000 |
LogP: | 2.38000 |
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The 2,4,6-Trimethylbenzeneboronic acid neopentyl glycol ester, with the CAS registry number 214360-78-8, is also known as 1,3,2-Dioxaborinane, 5,5-dimethyl-2-(2,4,6-trimethylphenyl)-. This chemical's molecular formula is C14H21BO2 and molecular weight is 232.13. Its systematic name is called 5,5-dimethyl-2-(2,4,6-trimethylphenyl)-1,3,2-dioxaborinane. When you are using this chemical, please be cautious about it, it is harmful if swallowed. In addition, it is toxic in contact with skin and if swallowed.
Physical properties of 2,4,6-Trimethylbenzeneboronic acid neopentyl glycol ester: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.493; (5)Molar Refractivity: 68.69 cm3; (6)Molar Volume: 236.189 cm3; (7)Surface Tension: 31.679 dyne/cm; (8)Density: 0.983 g/cm3; (9)Flash Point: 159.372 °C; (10)Enthalpy of Vaporization: 56.031 kJ/mol; (11)Boiling Point: 339.91 °C at 760 mmHg; (12)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OCC(C)(C)C1)c2c(cc(cc2C)C)C
(2)InChI: InChI=1/C14H21BO2/c1-10-6-11(2)13(12(3)7-10)15-16-8-14(4,5)9-17-15/h6-7H,8-9H2,1-5H3
(3)InChIKey: ITLDRNGUSKUMRG-UHFFFAOYAT