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| CAS No.: | 1008106-86-2 |
|---|---|
| Name: | 2-Iodophenylboronic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H6BIO2 |
| Molecular Weight: | 247.828 |
| Synonyms: | Boronic acid, B-(2-iodophenyl)-; |
| Density: | 1.95 g/cm3 |
| Melting Point: | 189-194°C |
| Boiling Point: | 345.3 °C at 760 mmHg |
| Flash Point: | 162.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 40.46000 |
| LogP: | -0.02900 |
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Specification
The 2-Iodophenylboronic acid, with the CAS registry number of 1008106-86-2, is also known as Boronic acid, B-(2-iodophenyl)-. Its molecular formula is C6H6BIO2 and molecular weight is 247.82611. What's more, its systematic name is (2-Iodophenyl)boronic acid.
Physical properties about the 2-Iodophenylboronic acid are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 57.71; (6)ACD/BCF (pH 7.4): 51.24; (7)ACD/KOC (pH 5.5): 634.04; (8)ACD/KOC (pH 7.4): 562.95; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 126.7 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.95 g/cm3; (18)Flash Point: 162.7 °C; (19)Enthalpy of Vaporization: 62.2 kJ/mol; (20)Boiling Point: 345.3 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccccc1I)(O)O
(2) InChI: InChI=1/C6H6BIO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
(3) InChIKey: MGUDXXNWLVGZIF-UHFFFAOYAF