3-Bromopyridine-4-boronic acid supplier

Name
3-BROMOPYRIDIN-4-YLBORONIC ACID
EINECS
CAS No. 458532-99-5
Article Data1
CAS DataBase
Density 1.785 g/cm³
Solubility
Melting Point
Formula C₅H₅BBrNO₂
Boiling Point 350.041 °C at 760 mmHg
Molecular Weight 201.815
Flash Point 165.499 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronic acid, (3-bromo-4-pyridinyl)- (9CI);3-bromopyridin-4-ylboronic acid;
PSA 53.35000
LogP -0.47610

3-Bromopyridine-4-boronic acid Specification

The CAS register number of 3-Bromopyridine-4-boronic acid is 458532-99-5. It also can be called as Boronic acid, B-(3-bromo-4-pyridinyl)- and the systematic name about this chemical is (3-bromopyridin-4-yl)boronic acid. The molecular formula about this chemical is C₅H₅BBrNO₂ and molecular weight is 201.81. It belongs to the following product categories, such as Organoborons; Pyridine and so on.

Physical properties about 3-Bromopyridine-4-boronic acid are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 94; (7)ACD/KOC (pH 7.4): 28; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 38.808 cm³; (14)Molar Volume: 113.077 cm³; (15)Polarizability: 15.385x10^-24cm³; (16)Surface Tension: 62.799 dyne/cm; (17)Enthalpy of Vaporization: 62.747 kJ/mol; (18)Boiling Point: 350.041 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccncc1Br
(2)InChI: InChI=1/C5H5BBrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
(3)InChIKey: KGJJYDKVEPQIKZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5BBrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H
(5)Std. InChIKey: KGJJYDKVEPQIKZ-UHFFFAOYSA-N

Product Name

3-BROMOPYRIDIN-4-YLBORONIC ACID

3-Bromopyridine-4-boronic acid Specification

Related Products

Hot Products