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2-[1(3)H-Imidazol]-4-yl ethanol (872-82-2)

Identification
Name:2-[1(3)H-Imidazol]-4-yl ethanol
Synonyms:2-[1(3)H-Imidazol]-4-yl-ethanol; 1H-Imidazole-4-ethanol
CAS:872-82-2
Molecular Formula: C5H8N2O
Molecular Weight: 112.13
InChI: InChI=1/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)
Molecular Structure: (C5H8N2O) 2-[1(3)H-Imidazol]-4-yl-ethanol; 1H-Imidazole-4-ethanol
Properties
Density:1.228 g/cm3
Refractive index:1.568
Specification:

The 1H-Imidazole-5-ethanol, with its cas register number 872-82-2, has its IUPAC name of 2-(1H-imidazol-5-yl)ethanol. This chemical is a kind of white or alomost white solid, and this chemical belongs to the product category which is pharmacetical.

The physical properties of this chemical could be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 5.696; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 48.91; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 29.861 cm3; (11)Molar Volume: 91.303 cm3; (12)Polarizability: 11.838 ×10-24 cm3; (13)Surface Tension: 60.23 dyne/cm; (14)Density: 1.228 g/cm3; (15)Flash Point: 171.38 °C; (16)Enthalpy of Vaporization: 63.879 kJ/mol; (17)Boiling Point: 359.766 °C at 760 mmHg.

Use of 1H-Imidazole-5-ethanol: 1H-Imidazole-5-ethanol could react with 1H-pyridine-2-thione to produce 2-[2-(1H-imidazol-4-yl)-ethylsulfanyl]-pyridine; dihydrobromide.

This reation could occur in the following condition: reagent: 47percent aq. HBr; reaction time: 24 hours; other condition: heating; field: 48%.

Additionally, you could convert the following datas information into the molecular structure:
(1)Canonical SMILES: C1=C(NC=N1)CCO
(2)InChI: InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7) 
(3)InChIKey: HEEACTTWORLLPM-UHFFFAOYSA-N

Safety Data