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| CAS No.: | 73998-95-5 |
|---|---|
| Name: | 4,6-DICHLORO-3-PYRIDINEMETHANOL |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C6H5Cl2NO |
| Molecular Weight: | 178.018 |
| Synonyms: | 4,6-Dichloropyridine-3-methanol; |
| Density: | 1.478 g/cm3 |
| Boiling Point: | 298.4 °C at 760 mmHg |
| Flash Point: | 134.3 °C |
| PSA: | 33.12000 |
| LogP: | 1.88070 |
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- Total:28 Page 1 of 1 1
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Specification
The 3-Pyridinemethanol,4,6-dichloro-, with the CAS registry number 73998-95-5, is also known as 4,6-Dichloropyridine-3-methanol. This chemical's molecular formula is C6H5Cl2NO and molecular weight is 178.016. What's more, its systematic name is called (4,6-Dichloropyridin-3-yl)methanol.
Physical properties about 3-Pyridinemethanol,4,6-dichloro- are: (1)ACD/LogP: 0.67; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.3; (8)ACD/KOC (pH 7.4): 55.3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.58 cm3; (15)Molar Volume: 120.3 cm3; (16)Polarizability: 16.08×10-24 cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.478 g/cm3; (19)Flash Point: 134.3 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 298.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00057 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cnc(Cl)c1)CO
(2) InChI: InChI=1/C6H5Cl2NO/c7-5-1-6(8)9-2-4(5)3-10/h1-2,10H,3H2
(3) InChIKey: VDXWCRIARMBDOX-UHFFFAOYAR