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Basic information

  • Name:
  • Quinoline,6-isocyanato-

  • CAS No.:
  • 160455-77-6

  • Molecular Structure:
  • Formula:
  • C10H6N2O
  • Molecular Weight:
  • 170.16744
  • Synonyms:
  • 6-Quinolineisocyanate;
  • Density:
  • 1.18 g/cm3
  • Boiling Point:
  • 292.1 °C at 760 mmHg
  • Flash Point:
  • 130.5 °C

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Specification

The Quinoline,6-isocyanato- is an organic compound with the formula C10H6N2O. The systematic name of this chemical is 6-Isocyanatoquinoline. The CAS registry number of this chemical is 160455-77-6. Besides, its molecular weight is 170.16744.

Physical properties about Quinoline,6-isocyanato- are: (1)ACD/LogP: 2.45; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 39.8; (5)ACD/BCF (pH 7.4): 42.65; (6)ACD/KOC (pH 5.5): 476.63; (7)ACD/KOC (pH 7.4): 510.76; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.32 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 50.49 cm3; (13)Molar Volume: 143.1 cm3; (14)Polarizability: 20.01×10-24 cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 130.5 °C; (18)Enthalpy of Vaporization: 53.16 kJ/mol; (19)Boiling Point: 292.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00187 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H6N2O/c13-7-12-9-3-4-10-8(6-9)2-1-5-11-10/h1-6H
(2)InChIKey: CERCVSIFSCEXGB-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C10H6N2O/c13-7-12-9-3-4-10-8(6-9)2-1-5-11-10/h1-6H
(4)Std. InChIKey: CERCVSIFSCEXGB-UHFFFAOYSA-N

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