Product Name

  • Name

    2-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-IMIDAZOLE

  • EINECS
  • CAS No. 13623-52-4
  • Article Data31
  • CAS DataBase
  • Density 1.29g/cm3
  • Solubility
  • Melting Point
  • Formula C9H9ClN2
  • Boiling Point 278.4 °C at 760 mmHg
  • Molecular Weight 180.637
  • Flash Point 122.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 13623-52-4 (2-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-IMIDAZOLE)
  • Hazard Symbols
  • Synonyms 2-Imidazoline,2-(p-chlorophenyl)- (8CI);2-(4-Chlorophenyl)-4,5-dihydro-1H-imidazole;4,5-Dihydro-2-(4-chlorophenyl)-1H-imidazole;NSC 129258;
  • PSA 24.39000
  • LogP 1.45420

1H-Imidazole,2-(4-chlorophenyl)-4,5-dihydro- Specification

The 1H-Imidazole,2-(4-chlorophenyl)-4,5-dihydro-, with CAS registry number 13623-52-4, has the systematic name of 2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole. Besides this, it is also called 2-Imidazoline, 2-(p-chloro-phenyl)-. And the chemical formula of this chemical is C9H9ClN2.

Physical properties of 1H-Imidazole,2-(4-chlorophenyl)-4,5-dihydro-: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.02; (6)ACD/KOC (pH 7.4): 1.5; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 15.6 Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 49.63 cm3; (13)Molar Volume: 139 cm3; (14)Polarizability: 19.67×10-24cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.29 g/cm3; (17)Flash Point: 122.2 °C; (18)Enthalpy of Vaporization: 51.71 kJ/mol; (19)Boiling Point: 278.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00426 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(/C1=N/CCN1)cc2
(2)InChI: InChI=1/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: XUMWMBLBTZAVLW-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9ClN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
(5)Std. InChIKey: XUMWMBLBTZAVLW-UHFFFAOYSA-N

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