Basic information
- Name:
Boronicacid, B-(6-methoxy-2-pyridinyl)-
- Superlist Name:
- 6-Methoxypyridine-2-boronic acid
- CAS No.:
372963-51-4
- Molecular Structure:
- Formula:
- C6H8BNO3
- Molecular Weight:
- 152.05
- Synonyms:
- Boronicacid, (6-methoxy-2-pyridinyl)- (9CI);[6-(Methyloxy)-2-pyridinyl]boronic acid;boronic acid, B-(6-methoxy-2-pyridinyl)-;2-Methoxypyridine-6-boronic acid;
- Density:
- 1.249 g/cm3
- Boiling Point:
- 325.7 °C at 760 mmHg
- Flash Point:
- 150.8 °C
- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37/39 Details
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Specification
The Boronicacid, B-(6-methoxy-2-pyridinyl)-, with the CAS registry number 372963-51-4, has the systematic name and IUPAC name of (6-methoxypyridin-2-yl)boronic acid. It belongs to the following product categories: Boronic acid; Methoxy; Pyridines. And the molecular formula of the chemical is C6H8BNO3.
The characteristics of Boronicacid, B-(6-methoxy-2-pyridinyl)- are as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 53.05; (8)ACD/KOC (pH 7.4): 8.5; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 14.84×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 150.8 °C; (20)Enthalpy of Vaporization: 59.95 kJ/mol; (21)Boiling Point: 325.7 °C at 760 mmHg; (22)Vapour Pressure: 9.21E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1nc(B(O)O)ccc1)C
(2)InChI: InChI=1/C6H8BNO3/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: GQWZKBTZAFEQJZ-UHFFFAOYAA