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- 913836-06-3Boronicacid, B-[4-(2-bromoethoxy)phenyl]-
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- 913836-14-3Boronicacid, B-(3-chloro-5-methylphenyl)-
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| Name |
Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]- |
EINECS | N/A |
| CAS No. | 913836-01-8 | Density | 1.47 g/cm3 |
| PSA | 95.87000 | LogP | -0.75430 |
| Solubility | N/A | Melting Point |
123-125°C |
| Formula | C6H8BNO4S | Boiling Point | 523.8 °C at 760 mmHg |
| Molecular Weight | 201.011 | Flash Point | 270.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [5-(methylsulfonyl)-3-pyridinyl]- (9CI);5-(Methylsulfonyl)pyridin-3-ylboronic acid; |
Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]- Specification
The Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-, with CAS registry number 913836-01-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines. It has the systematic name of (5-methylsulfonyl-3-pyridyl)boronic acid. And the chemical formula of this chemical is C6H8BNO4S.
Physical properties of Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 95.87 Å2; (6)Index of Refraction: 1.568; (7)Molar Refractivity: 44.53 cm3; (8)Molar Volume: 136 cm3; (9)Polarizability: 17.65×10-24cm3; (10)Surface Tension: 64.2 dyne/cm; (11)Enthalpy of Vaporization: 83.96 kJ/mol; (12)Vapour Pressure: 8.43E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)S(=O)(=O)C)(O)O
(2)InChI: InChI=1/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(3)InChIKey: YGXNPQDXWDCWET-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(5)Std. InChIKey: YGXNPQDXWDCWET-UHFFFAOYSA-N
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