Product Name

  • Name

    2-Butyl-1-H-imidazole

  • EINECS
  • CAS No. 50790-93-7
  • Article Data1
  • CAS DataBase
  • Density 0.979 g/cm3
  • Solubility
  • Melting Point 52 °C
  • Formula C7H12N2
  • Boiling Point 279.3 °C at 760 mmHg
  • Molecular Weight 124.186
  • Flash Point 132.7 °C
  • Transport Information
  • Appearance white crystal powder
  • Safety
  • Risk Codes R36/37/38; R20/21/22
  • Molecular Structure Molecular Structure of 50790-93-7 (2-Butyl-1-H-imidazole)
  • Hazard Symbols Xi,Xn
  • Synonyms 2-Butyl-1H-imidazole;1H-imidazole, 2-butyl-;
  • PSA 28.68000
  • LogP 1.75230

2-Buthylimidazole Specification

The CAS registry number of 2-Butylimidazole is also 50790-93-7. The IUPAC name is 2-butyl-1H-imidazole. In addition, the formula is C7H12N2 and the molecular weight is 110.157. It belongs to the class of Imidaxoles. It is a kind of white crystal powder.

Physical properties about this chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 7.4): 0.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.68; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 37.59 cm3; (14)Molar Volume: 126.8 cm3; (15)Polarizability: 14.9 ×10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 0.979 g/cm3; (18)Flash Point: 132.7 °C; (19)Enthalpy of Vaporization: 49.72 kJ/mol; (20)Boiling Point: 279.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00686 mmHg at 25°C.

Preparation of 2-Butylimidazole: it can be prepared by 2-butyl-4,5-dihydro-1H-imidazole. This reaction will need reagent BaMnO4 and solvent CH2Cl2. The reaction time is 22 hours by heating. The yield is about 76%.

2-Butylimidazole can be prepared by 2-butyl-4,5-dihydro-1H-imidazole.

Uses of 2-Butylimidazole: it can be used to get 4,5-dibromo-2-butyl-1H-imidazole. This reaction will need reagent Br2 and solvent CHCl3. The reaction time is 3 hours with ambient temperature and the yield is about 56%.

2-Butylimidazole can be used to get 4,5-dibromo-2-butyl-1H-imidazole.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccnc1CCCC
(2)InChI: InChI=1/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)
(3)InChIKey: SLLDUURXGMDOCY-UHFFFAOYAT

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