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CAS No.: | 1245644-98-7 |
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Name: | 1-(2-Chloropyridin-4-yl)ethanol |
Molecular Structure: | |
Formula: | C7H8ClNO |
Molecular Weight: | 157.6 |
Synonyms: | 4-Pyridinemethanol, 2-chloro-α-methyl-;1-(2-chloro-4-pyridyl)ethanol; |
Density: | 1.254 g/cm3 |
Boiling Point: | 272.14 °C at 760 mmHg |
Flash Point: | 118.386 °C |
PSA: | 33.12000 |
LogP: | 1.78830 |
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The 1-(2-Chloropyridin-4-yl)ethanol, with the CAS registry number 1245644-98-7, is also known as 4-Pyridinemethanol, 2-chloro-α-methyl-. This chemical's molecular formula is C7H8ClNO and molecular weight is 157.60. What's more, its systematic name is 1-(2-chloro-4-pyridyl)ethanol.
Physical properties of 1-(2-Chloropyridin-4-yl)ethanol are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.211; (4)ACD/LogD (pH 7.4): 1.211; (5)ACD/BCF (pH 5.5): 4.903; (6)ACD/BCF (pH 7.4): 4.903; (7)ACD/KOC (pH 5.5): 108.613; (8)ACD/KOC (pH 7.4): 108.614; (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: 1.555; (14)Molar Refractivity: 40.326 cm3; (15)Molar Volume: 125.68 cm3; (16)Polarizability: 15.987×10-24cm3; (17)Surface Tension: 47.12 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 118.386 °C; (20)Enthalpy of Vaporization: 53.918 kJ/mol; (21)Boiling Point: 272.14 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1ccnc(c1)Cl)O
(2)InChI: InChI=1S/C7H8ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-5,10H,1H3
(3)InChIKey: JVKWVFDRUADQGB-UHFFFAOYSA-N