3,5-Difluorobenzeneboronic acid neopentyl glycol ester supplier

Name
3,5-DIFLUOROBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER
EINECS -0
CAS No. 216393-57-6
Article Data5
CAS DataBase
Density 1.14g/cm³
Solubility
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
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3,5-difluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;1,3,2-dioxaborinane, 2-(3,5-difluorophenyl)-5,5-dimethyl-;
PSA 18.46000
LogP 1.73300

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

Product Name

3,5-DIFLUOROBENZENEBORONIC ACID NEOPENTYL GLYCOL CYCLIC ESTER

3,5-Difluorobenzeneboronic acid neopentyl glycol ester Specification

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