Basic Information | Post buying leads | Suppliers |
Name |
5-Bromo-2-fluoro-4-methylphenylboronic acid |
EINECS | N/A |
CAS No. | 957061-14-2 | Density | 1.65 g/cm3 |
PSA | 40.46000 | LogP | 0.57640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H7BBrFO2 | Boiling Point | 332.1 °C at 760 mmHg |
Molecular Weight | 232.84 | Flash Point | 154.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-2-fluoro-4-methylphenylboronic acid; |
The CAS register number of 5-Bromo-2-fluoro-4-methylphenylboronic acid is 957061-14-2. It also can be called as Boronic acid,B-(5-bromo-2-fluoro-4-methylphenyl)- and the systematic name about this chemical is (5-bromo-2-fluoro-4-methyl-phenyl)boronic acid. The molecular formula about this chemical is C7H7BBrFO2 and the molecular weight is 232.84. It belongs to the following product categories, such as Blocks; BoronicAcids; Bromides and so on.
Physical properties about 5-Bromo-2-fluoro-4-methylphenylboronic acid are: (1)ACD/LogP: 2.81; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.6; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 40.46Å2; (8)Index of Refraction: 1.562; (9)Molar Refractivity: 45.74 cm3; (10)Molar Volume: 141 cm3; (11)Polarizability: 18.13x10-24cm3; (12)Surface Tension: 46.5 dyne/cm; (13)Enthalpy of Vaporization: 60.68 kJ/mol; (14)Boiling Point: 332.1 °C at 760 mmHg; (15)Vapour Pressure: 5.94E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(c(cc1F)C)Br)(O)O
(2)InChI: InChI=1/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
(3)InChIKey: HTOASIJHHJJWRV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H7BBrFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
(5)Std. InChIKey: HTOASIJHHJJWRV-UHFFFAOYSA-N