Basic Information | Post buying leads | Suppliers |
Name |
2-Methyl-5-(trifluoromethyl)phenylboronic acid |
EINECS | N/A |
CAS No. | 947533-96-2 | Density | 1.31 g/cm3 |
PSA | 40.46000 | LogP | 0.69360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8BF3O2 | Boiling Point | 287 °C at 760 mmHg |
Molecular Weight | 203.9541296 | Flash Point | 127.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-5-trifluoromethyl-phenylboronic acid |
The 2-Methyl-5-(trifluoromethyl)phenylboronic acid is an organic compound with the formula C8H8BF3O2. The systematic name of this chemical is [2-methyl-5-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 947533-96-2, it is also named as boronic acid, B-[2-methyl-5-(trifluoromethyl)phenyl]-.
Physical properties about 2-Methyl-5-(trifluoromethyl)phenylboronic acid are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.62; (3)ACD/LogD (pH 7.4): 2.42; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 40.46 Å2; (8)Index of Refraction: 1.464; (9)Molar Refractivity: 42.9 cm3; (10)Molar Volume: 155.3 cm3; (11)Polarizability: 17×10-24cm3; (12)Surface Tension: 32.9 dyne/cm; (13)Density: 1.31 g/cm3; (14)Flash Point: 127.4 °C; (15)Enthalpy of Vaporization: 55.57 kJ/mol; (16)Boiling Point: 287 °C at 760 mmHg; (17)Vapour Pressure: 0.00119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(ccc1C)C(F)(F)F)(O)O
(2)InChI: InChI=1/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3
(3)InChIKey: WFARXIDYQNIXLI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BF3O2/c1-5-2-3-6(8(10,11)12)4-7(5)9(13)14/h2-4,13-14H,1H3
(5)Std. InChIKey: WFARXIDYQNIXLI-UHFFFAOYSA-N