CAS No.50790-93-7,2-Butyl-1-H-imidazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50790-93-7
Name:	2-Butyl-1-H-imidazole
Article Data:	1

Formula:	C₇H₁₂N₂
Molecular Weight:	124.186
Synonyms:	2-Butyl-1H-imidazole;1H-imidazole, 2-butyl-;
Density:	0.979 g/cm³
Melting Point:	52 °C
Boiling Point:	279.3 °C at 760 mmHg
Flash Point:	132.7 °C
Appearance:	white crystal powder
Hazard Symbols:	Xi,Xn
Risk Codes:	R36/37/38; R20/21/22
PSA:	28.68000
LogP:	1.75230

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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