Product Name

  • Name

    3-Chloro-1-methoxyisoquinoline

  • EINECS
  • CAS No. 24649-22-7
  • Article Data5
  • CAS DataBase
  • Density 1.267 g/cm3
  • Solubility
  • Melting Point 67-72°C
  • Formula C10H8ClNO
  • Boiling Point 309.4 °C at 760 mmHg
  • Molecular Weight 193.633
  • Flash Point 140.9 °C
  • Transport Information
  • Appearance
  • Safety 26-36-45
  • Risk Codes 25-41
  • Molecular Structure Molecular Structure of 24649-22-7 (3-Chloro-1-methoxyisoquinoline)
  • Hazard Symbols T
  • Synonyms Isoquinoline, 3-chloro-1-methoxy-;
  • PSA 22.12000
  • LogP 2.89680

3-Chloro-1-methoxyisoquinoline Specification

The 3-Chloro-1-methoxyisoquinoline, with the CAS registry number 24649-22-7, is also known as Isoquinoline, 3-chloro-1-methoxy-. This chemical's molecular formula is C10H8ClNO and molecular weight is 193.6296. What's more, its IUPAC name is 3-Chloro-1-methoxyisoquinoline.

Physical properties about 3-Chloro-1-methoxyisoquinoline are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.81; (6)ACD/BCF (pH 7.4): 249.81; (7)ACD/KOC (pH 5.5): 1810.55; (8)ACD/KOC (pH 7.4): 1810.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 53.76 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 21.31×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 140.9 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 309.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00116 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc2nc(Cl)cc1ccccc12
(2) InChI: InChI=1/C10H8ClNO/c1-13-10-8-5-3-2-4-7(8)6-9(11)12-10/h2-6H,1H3
(3) InChIKey: SNAJJTHVSPRNKF-UHFFFAOYAX

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