3-Bromo-5-fluorophenylboronic acid supplier

Name
3-Bromo-5-fluorophenylboronic acid
EINECS
CAS No. 849062-37-9
Article Data1
CAS DataBase
Density 1.75 g/cm³
Solubility Slightly soluble in water.
Melting Point >300°C
Formula C₆H₅BBrFO₂
Boiling Point 329.035 °C at 760 mmHg
Molecular Weight 218.818
Flash Point 152.795 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (3-bromo-5-fluorophenyl)- (9CI);(3-Bromo-5-fluorophenyl)boronic acid;
PSA 40.46000
LogP 0.26800

3-Bromo-5-fluorophenylboronic acid Specification

The 3-Bromo-5-fluorophenylboronic acid, with CAS registry number 849062-37-9, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Aryl; (4)Boronic Acids and Derivatives. It has the systematic name of (3-bromo-5-fluorophenyl)boronic acid. This chemical should be kept cold. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 3-Bromo-5-fluorophenylboronic acid: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 441; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 41.122 cm³; (15)Molar Volume: 125.039 cm³; (16)Polarizability: 16.302×10^-24cm³; (17)Surface Tension: 48.584 dyne/cm; (18)Density: 1.75 g/cm³;(19)Flash Point: 152.795 °C; (20)Enthalpy of Vaporization: 60.325 kJ/mol; (21)Boiling Point: 329.035 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(F)cc(Br)c1
(2)InChI: InChI=1/C6H5BBrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
(3)InChIKey: UVKKALLRVWTDOY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H5BBrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
(5)Std. InChIKey: UVKKALLRVWTDOY-UHFFFAOYSA-N

Product Name

3-Bromo-5-fluorophenylboronic acid

3-Bromo-5-fluorophenylboronic acid Specification

Related Products

Hot Products