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Cas Database |
| Name |
3,5-Difluorobenzeneboronic acid neopentyl glycol ester |
EINECS | -0 |
| CAS No. | 216393-57-6 | Density | 1.14g/cm3 |
| PSA | 18.46000 | LogP | 1.73300 |
| Solubility | N/A | Melting Point |
43-45°C |
| Formula | C11H13BF2O2 | Boiling Point | 290.9 °C at 760 mmHg |
| Molecular Weight | 226.031 | Flash Point | 129.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;1,3,2-dioxaborinane, 2-(3,5-difluorophenyl)-5,5-dimethyl-; |
Article Data | 5 |
3,5-Difluorobenzeneboronic acid neopentyl glycol ester Specification
The 3,5-Difluorobenzeneboronic acid neopentyl glycol ester, with CAS registry number 216393-57-6, has the systematic name of 2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane. This chemical should be stored in in cool, dry place in tightly closed containers. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties of 3,5-Difluorobenzeneboronic acid neopentyl glycol ester: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.468; (6)Molar Refractivity: 55.04 cm3; (7)Molar Volume: 197.8 cm3; (8)Polarizability: 21.82×10-24cm3; (9)Surface Tension: 29.2 dyne/cm; (10)Enthalpy of Vaporization: 50.91 kJ/mol; (11)Vapour Pressure: 0.0035 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(B1OCC(C)(C)CO1)cc(F)c2
(2)InChI: InChI=1/C11H13BF2O2/c1-11(2)6-15-12(16-7-11)8-3-9(13)5-10(14)4-8/h3-5H,6-7H2,1-2H3
(3)InChIKey: OLHRAEPCGZMMTI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H13BF2O2/c1-11(2)6-15-12(16-7-11)8-3-9(13)5-10(14)4-8/h3-5H,6-7H2,1-2H3
(5)Std. InChIKey: OLHRAEPCGZMMTI-UHFFFAOYSA-N
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