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4-Iodoquinoline

  • Name 4-Iodoquinoline
  • EINECSN/A
  • CAS No. 16560-43-3
  • Density1.837 g/cm3
  • PSA12.89000
  • LogP2.83940
  • SolubilityN/A
  • Melting Point98-100
  • FormulaC9H6IN
  • Boiling Point320.7 °C at 760 mmHg
  • Molecular Weight255.058
  • Flash Point147.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36
  • Risk Codes Xi:Irritant;
  • Molecular Structure
    Molecular Structure of 16560-43-3 (4-IODOQUINOLINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data9

4-Iodoquinoline Specification

This chemical is called Quinoline, 4-iodo-, and its systematic name is 4-iodoquinoline. With the molecular formula of C9H6IN, its molecular weight is 255.06. The CAS registry number of this chemical is 16560-43-3. 

Other characteristics of the Quinoline, 4-iodo- can be summarised as followings: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 135.73; (6)ACD/BCF (pH 7.4): 137.35; (7)ACD/KOC (pH 5.5): 1165.96; (8)ACD/KOC (pH 7.4): 1179.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 55.09 cm3; (15)Molar Volume: 138.8 cm3; (16)Polarizability: 21.84×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.837 g/cm3; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 54 kJ/mol; (21)Boiling Point: 320.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000585 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Ic1ccnc2ccccc12
2.InChI: InChI=1/C9H6IN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
3.InChIKey: STERKHRCDZPNRE-UHFFFAOYAQ

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