Product Name

  • Name

    1-(2-Chloropyridin-4-yl)ethanol

  • EINECS
  • CAS No. 1245644-98-7
  • Density 1.254 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H8ClNO
  • Boiling Point 272.14 °C at 760 mmHg
  • Molecular Weight 157.6
  • Flash Point 118.386 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1245644-98-7 (1-(2-Chloropyridin-4-yl)ethanol)
  • Hazard Symbols
  • Synonyms 4-Pyridinemethanol, 2-chloro-α-methyl-;1-(2-chloro-4-pyridyl)ethanol;
  • PSA 33.12000
  • LogP 1.78830

1-(2-Chloropyridin-4-yl)ethanol Specification

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

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