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| CAS No.: | 884494-79-5 |
|---|---|
| Name: | 5-chloro-2-fluoro-3-Pyridinemethanol |
| Molecular Structure: | |
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| Formula: | C6H5ClFNO |
| Molecular Weight: | 161.56 |
| Synonyms: | (5-Chloro-2-fluoropyridin-3-yl)methanol;5-Chloro-2-fluoro-3-(hydroxymethyl)pyridine; |
| EINECS: | -0 |
| Density: | 1.434 g/cm3 |
| Boiling Point: | 268.3 °C at 760 mmHg |
| Flash Point: | 116 °C |
| PSA: | 33.12000 |
| LogP: | 1.36640 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Pyridinemethanol,5-chloro-2-fluoro-, with its CAS registry number 884494-79-5, has its systematic name of (5-Chloro-2-fluoropyridin-3-yl)methanol. With its molecular formula of C6H5ClFNO, it should be kept in the dry and cool place..
Physical properties of 3-Pyridinemethanol,5-chloro-2-fluoro-: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 41.73; (8)ACD/KOC (pH 7.4): 41.73; (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: 1.546; (14)Molar Refractivity: 35.68 cm3; (15)Molar Volume: 112.6 cm3; (16)Polarizability: 14.14×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.434 g/cm3; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 53.49 kJ/mol; (21)Boiling Point: 268.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00385 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:c1c(cnc(c1CO)F)Cl
(2)InChI:InChI=1/C6H5ClFNO/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2
(3)InChIKey:NBGVSDKQZOVTNV-UHFFFAOYAC