6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid supplier

Name
6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid
EINECS
CAS No. 1088496-42-7
Article Data2
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point
Formula C₈H₁₂BNO₃
Boiling Point 371.111 °C at 760 mmHg
Molecular Weight 180.999
Flash Point 178.242 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [6-(1-Hydroxy-1-methyl-ethyl)-3-pyridyl]boronic acid;
PSA 73.58000
LogP -1.01120

6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid Specification

The CAS registry number of 6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid is 1088496-42-7. The molecular formula of it is C₈H₁₂BNO₃ and molecular weight is 180.9968. Its systematic name is called [6-(1-Hydroxy-1-methyl-ethyl)-3-pyridyl]boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 26.688; (7)ACD/KOC (pH 7.4): 2.155; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 46.515 cm³; (13)Molar Volume: 147.031 cm³; (14)Surface Tension: 54.215 dyne/cm; (15)Density: 1.231 g/cm³; (16)Flash Point: 178.242 °C; (17)Enthalpy of Vaporization: 65.208 kJ/mol; (18)Boiling Point: 371.111 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)C(C)(C)O)(O)O
(2)InChI: InChI=1/C8H12BNO3/c1-8(2,11)7-4-3-6(5-10-7)9(12)13/h3-5,11-13H,1-2H3
(3)InChIKey: HQNCOBIVRYULKH-UHFFFAOYAQ

Product Name

6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid

6-(2-Hydroxypropan-2-yl)pyridin-3-ylboronic acid Specification

Related Products

Hot Products