4-Bromo-2-methoxyphenylboronic acid supplier

Name
4-Bromo-2-methoxyphenylboronic acid
EINECS
CAS No. 889849-21-2
Article Data2
CAS DataBase
Density 1.6±0.1 g/cm³
Solubility
Melting Point
Formula C₇H₈BBrO₃
Boiling Point 354.5±52.0 °C at 760 mmHg
Molecular Weight 230.854
Flash Point 168.2±30.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronic acid, B-(4-bromo-2-methoxyphenyl)-;
PSA 49.69000
LogP 0.13750

4-Bromo-2-methoxyphenylboronic acid Specification

4-Bromo-2-methoxyphenylboronic acid is an organic compound with the formula C₇H₈BBrO₃, and its systematic name is the same with the product name. With the CAS registry number 889849-21-2, it is also named as Boronic acid, B-(4-bromo-2-methoxyphenyl)-. In addition, the molecular weight is 230.85.

Physical properties of 4-Bromo-2-methoxyphenylboronic acid are: (1)ACD/LogP: 2.40±0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.40; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 38.96; (6)ACD/BCF (pH 7.4): 35.02; (7)ACD/KOC (pH 5.5): 478.63; (8)ACD/KOC (pH 7.4): 430.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 47.4±0.4 cm³; (15)Molar Volume: 142.6±5.0 cm³; (16)Polarizability: 18.8±0.5×10^-24cm³; (17)Surface Tension: 51.2±5.0 dyne/cm; (18)Density: 1.6±0.1 g/cm³; (19)Flash Point: 168.2±30.7 °C; (20)Enthalpy of Vaporization: 63.3±3.0 kJ/mol; (21)Boiling Point: 354.5±52.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cc(F)cc1)C
(2)Std. InChI: InChI=1S/C8H8BrF/c1-6-4-8(10)3-2-7(6)5-9/h2-4H,5H2,1H3
(3)Std. InChIKey: DAKPIAWEPVZDNG-UHFFFAOYSA-N

Product Name

4-Bromo-2-methoxyphenylboronic acid

4-Bromo-2-methoxyphenylboronic acid Specification

Related Products

Hot Products