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CAS No.: | 1003043-40-0 |
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Name: | 6-CHLORO-5-METHYLPYRIDINE-3-BORONIC ACID |
Molecular Structure: | |
Formula: | C6H7BClNO2 |
Molecular Weight: | 171.391 |
Synonyms: | B-(6-Chloro-5-methyl-3-pyridinyl)boronic acid; |
Density: | 1.347 g/cm3 |
Melting Point: | 180-183 °C |
Boiling Point: | 358.744 °C at 760 mmHg |
Flash Point: | 170.763 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 53.35000 |
LogP: | -0.27680 |
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The 6-Chloro-5-methylpyridine-3-boronic acid with cas registry number of 1003043-40-0, is also named B-(6-Chloro-5-methyl-3-pyridinyl)boronic acid ; Boronic acid, B-(6-chloro-5-methyl-3-pyridinyl)- . The 6-Chloro-5-methylpyridine-3-boronic acid belongs to the following product categories: (1)Organoborons; (2)Pyridine .
Physical properties of 6-Chloro-5-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)ACD/BCF (pH 5.5): 3.73; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 81.86; (7)ACD/KOC (pH 7.4): 3.8; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 40.53 cm3; (14)Molar Volume: 127.2 cm3; (15)Polarizability: 16.07×10-24cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Enthalpy of Vaporization: 63.76 kJ/mol; (18)Vapour Pressure: 9.03E-06 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:Cc1cc(cnc1Cl)B(O)O; (2)InChI:InChI=1/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3; (3)InChIKey:WWOOKOBRTKSRLV-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3,10-11H,1H3; (5)Std. InChIKey:WWOOKOBRTKSRLV-UHFFFAOYSA-N .