2,6-Dimethylphenylboronic acid

The 2,6-Dimethylphenylboronic acid with CAS registry number of 100379-00-8 is also known as 2,6-Dimethylbenzeneboronic acid. The IUPAC name and product name are the same. It belongs to product categories of Blocks; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic acid; Boronic Acids and Derivatives. In addition, the formula is C₈H₁₁BO₂ and the molecular weight is 149.98. This chemical is a white crystalline powder and should be sealed in cool, dry place away from oxidants at the temperature of 0-6 °C.

Physical properties about 2,6-Dimethylphenylboronic acid are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 47.52; (6)ACD/BCF (pH 7.4): 45.2; (7)ACD/KOC (pH 5.5): 551.88; (8)ACD/KOC (pH 7.4): 524.87; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46Ų; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 42.53 cm³; (15)Molar Volume: 139.2 cm³; (16)Polarizability: 16.86×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 135.2 °C; (20)Enthalpy of Vaporization: 57.02 kJ/mol; (21)Boiling Point: 299.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000516 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: B(C1=C(C=CC=C1C)C)(O)O
2. InChI: InChI=1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
3. InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N