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CAS No.: | 55304-90-0 |
---|---|
Name: | (2,6-Dichloro-3-pyridinyl)methanol |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C6H5Cl2NO |
Molecular Weight: | 178.018 |
Synonyms: | (2,6-dichloropyridin-3-yl)methanol |
Density: | 1.479 g/cm3 |
Melting Point: | 67-69 °C |
Boiling Point: | 311.641 °C at 760 mmHg |
Flash Point: | 142.276 °C |
Appearance: | White or light yellow solid |
PSA: | 33.12000 |
LogP: | 1.88070 |
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The (2,6-Dichloro-3-pyridinyl)methanol is an organic compound with the formula C6H5Cl2NO. The systematic name of this chemical is (2,6-dichloropyridin-3-yl)methanol. With the CAS registry number 55304-90-0, it is also named as 3-pyridinemethanol, 2,6-dichloro-. It is white or light yellow solid.
The other characteristics of (2,6-Dichloro-3-pyridinyl)methanol can be summarized as: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 73; (8)ACD/KOC (pH 7.4): 73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 40.586 cm3; (15)Molar Volume: 120.375 cm3; (16)Polarizability: 16.089×10-24 cm3; (17)Surface Tension: 54.257 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 142.276 °C; (20)Enthalpy of Vaporization: 58.342 kJ/mol; (21)Boiling Point: 311.641 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:OCc1ccc(Cl)nc1Cl
2. InChI:InChI=1/C6H5Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
3. InChIKey:FWEVVZQDRPWAND-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
5. Std. InChIKey:FWEVVZQDRPWAND-UHFFFAOYSA-N