2,3-DIHYDROBENZOFURAN-5-BORONIC ACID

The Boronic acid,B-(2,3-dihydro-5-benzofuranyl)-, with CAS registry number 227305-69-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Heterocycles; (4)Furan & Benzofuran; (5)Dihydrobenzofuran; (6)Organoborons. It has the systematic name of 2,3-dihydro-1-benzofuran-5-ylboronic acid. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₈H₉BO₃.

Physical properties of Boronic acid,B-(2,3-dihydro-5-benzofuranyl)-: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.28; (6)ACD/BCF (pH 7.4): 8.08; (7)ACD/KOC (pH 5.5): 158.07; (8)ACD/KOC (pH 7.4): 154.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 42.23 cm³; (15)Molar Volume: 126.7 cm³; (16)Polarizability: 16.74×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 63.72 kJ/mol; (21)Boiling Point: 358.4 °C at 760 mmHg; (22)Vapour Pressure: 9.24E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-(2,3-dihydro-5-benzofuranyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cc1c(OCC1)cc2
(2)InChI: InChI=1/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2
(3)InChIKey: ZIXLJHSFAMVHPC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2
(5)Std. InChIKey: ZIXLJHSFAMVHPC-UHFFFAOYSA-N