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| CAS No.: | 913836-15-4 |
|---|---|
| Name: | 6-Chloro-2-methylpyridine-3-boronic acid |
| Molecular Structure: | |
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| Formula: | C6H7BClNO2 |
| Molecular Weight: | 171.391 |
| Synonyms: | Boronicacid, (6-chloro-2-methyl-3-pyridinyl)- (9CI); |
| Density: | 1.34 g/cm3 |
| Melting Point: | 154-156°C |
| Boiling Point: | 336.6 °C at 760 mmHg |
| Flash Point: | 157.4 °C |
| Hazard Symbols: |
 Xi
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Specification
The 6-Chloro-2-methylpyridine-3-boronic acid, with CAS registry number 913836-15-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines. It has the systematic name of (6-chloro-2-methyl-3-pyridyl)boronic acid. This chemical should be kept cold.
Physical properties of 6-Chloro-2-methylpyridine-3-boronic acid: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Index of Refraction: 1.55; (9)Molar Refractivity: 40.53 cm3; (10)Molar Volume: 127.2 cm3; (11)Polarizability: 16.07×10-24cm3; (12)Surface Tension: 52.5 dyne/cm; (13)Enthalpy of Vaporization: 61.19 kJ/mol; (14)Vapour Pressure: 4.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1C)Cl)(O)O
(2)InChI: InChI=1/C6H7BClNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3
(3)InChIKey: WEKRUIAZOLIAOG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H7BClNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3
(5)Std. InChIKey: WEKRUIAZOLIAOG-UHFFFAOYSA-N