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| CAS No.: | 668983-97-9 |
|---|---|
| Name: | DIBENZOTHIOPHENE-2-BORONIC ACID |
| Molecular Structure: | |
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| Formula: | C12H9BO2S |
| Molecular Weight: | 228.079 |
| Synonyms: | Boronic acid, 2-dibenzothienyl- (9CI); |
| EINECS: | 688-282-7 |
| Density: | 1.38 g/cm3 |
| Boiling Point: | 480.2 °C at 760 mmHg |
| Flash Point: | 244.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 68.70000 |
| LogP: | 1.73430 |
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Specification
The Boronic acid, B-2-dibenzothienyl-, with the CAS registry number 668983-97-9, is also known as Dibenzothiophene-2-boronic acid. This chemical's molecular formula is C12H9BO2S and molecular weight is 228.07. Its systematic name is called dibenzo[b,d]thiophen-2-ylboronic acid.
Physical properties of Boronic acid, B-2-dibenzothienyl-: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.75; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 417.06; (5)ACD/BCF (pH 7.4): 379.08; (6)ACD/KOC (pH 5.5): 2612.06; (7)ACD/KOC (pH 7.4): 2374.17; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.738; (12)Molar Refractivity: 66.54 cm3; (13)Molar Volume: 165.1 cm3; (14)Surface Tension: 63.5 dyne/cm; (15)Density: 1.38 g/cm3; (16)Flash Point: 244.2 °C; (17)Enthalpy of Vaporization: 78.44 kJ/mol; (18)Boiling Point: 480.2 °C at 760 mmHg; (19)Vapour Pressure: 4.97E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cc1c3ccccc3sc1cc2
(2)InChI: InChI=1/C12H9BO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,14-15H
(3)InChIKey: CSLSCVHILGCSTE-UHFFFAOYAS