Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester |
EINECS | N/A |
CAS No. | 673456-16-1 | Density | 1.35 g/cm3 |
PSA | 18.46000 | LogP | 2.48880 |
Solubility | N/A | Melting Point |
32-34 °C |
Formula | C12H15BBrFO2 | Boiling Point | 359.3 °C at 760 mmHg |
Molecular Weight | 300.963 | Flash Point | 171.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester; |
Article Data | 1 |
The CAS register number of 2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester is 673456-16-1. It also can be called as 1,3,2-Dioxaborinane,2-[2-(bromomethyl)-4-fluorophenyl]-5,5-dimethyl- and the systematic name about this chemical is 2-[2-(bromomethyl)-4-fluoro-phenyl]-5,5-dimethyl-1,3,2-dioxaborinane. The molecular formula about this chemical is C12H15BBrFO2 and molecular weight is 300.96. It belongs to the following product categories, such as Blocks; BoronicAcids; Bromides; FluoroCompounds and so on.
Physical properties about 2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 18.46Å2; (4)Index of Refraction: 1.516; (5)Molar Refractivity: 67.28 cm3; (6)Molar Volume: 222.4 cm3; (7)Polarizability: 26.67x10-24cm3; (8)Surface Tension: 35.7 dyne/cm; (9)Enthalpy of Vaporization: 58.11 kJ/mol; (10)Boiling Point: 359.3 °C at 760 mmHg; (11)Vapour Pressure: 4.95E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OCC(CO1)(C)C)c2ccc(cc2CBr)F
(2)InChI: InChI=1/C12H15BBrFO2/c1-12(2)7-16-13(17-8-12)11-4-3-10(15)5-9(11)6-14/h3-5H,6-8H2,1-2H3
(3)InChIKey: DQRRGFNBYBOFHI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H15BBrFO2/c1-12(2)7-16-13(17-8-12)11-4-3-10(15)5-9(11)6-14/h3-5H,6-8H2,1-2H3
(5)Std. InChIKey: DQRRGFNBYBOFHI-UHFFFAOYSA-N