Description
Imidazole is a biocompatible molecule that is used as a scaffold for biomimetic applications. It is used as a bioreagent with an ability to hydrogen bond with drugs and proteins. It can be also be used as an additive for the formation of an electrolyte for fuel cell applications.
Synonyms
Glyoxaline
IUPAC Name
1H-imidazole
Molecular Weight
68.08
Molecular Formula
C3H4N2
Canonical SMILES
C1=CN=CN1
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChI Key
RAXXELZNTBOGNW-UHFFFAOYSA-N
Boiling Point
256 °C
Melting Point
88-91 °C
Flash Point
145 °C - closed cup
Purity
99%+
Density
Relative density (water = 1): 1.03;
Solubility
Very soluble in water;In water, 241 g/100 g at 20 deg C;In water, 2060 g/kg H₂O at 19 deg C;In water, 663 g/L at 20 deg C;Very soluble in ethanol; soluble in diethyl ether, acetone, pyridine; slightly soluble in benzene;Solubility in water, g/100ml at 20 °C: 63.3 (good);
Appearance
Crystalline
Storage
Store below +30 °C
Color Form
Monoclinic prisms from benzene;Colorless crystals;Colorless-yellow solid;
Complexity
28.1
Covalently-Bonded Unit Count
1
Decomposition
Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), hydrogen cyanide (hydrocyanic acid).;Decomposes on burning. This produces toxic fumes including nitrogen oxides.;When heated to decomposition it emits toxic fumes of /nitrogen oxides/.;
EC Number
206-019-2
Exact Mass
68.037448136
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
5
ICSC Number
1721
MDL Number
MFCD00005183
Monoisotopic Mass
68.037448136
NSC Number
60522
Odor
Amine-like odor;
Other Experimental
Density: 1.0303 g/cu m at 101 deg C;Index of refraction: 1.4801 at 101 deg C;Viscosity: 2.696 mPa sec at 100 deg C;Molar heat capacity Cp (gas) = 71.3 J/mol K;Enthalpy of formation (crystal) = 49.8 kJ/mol;Enthalpy of fusion = 12.96 kJ/mol;Enthalpy of vaporization (220-265 deg C) = 57.12 kJ/mol;log Kow = -0.02 at 25 deg C;Vapor pressure = 0.327 Pa at 25 deg C (2.25X10-2 mm Hg at 25 deg C);Henry's Law constant = 3.8X10-6 atm-cu m/mol at 25 deg C (est; for the neutral species);Hydroxyl radical reaction rate constant = 3.6X10-11 cu cm/mole-sec at 24 deg C;
Refractive Index
1.62
Rotatable Bond Count
0
RTECS Number
NI3325000
Stability
Stable under recommended storage conditions.;
Topological Polar Surface Area
28.7 Ų
UNII
7GBN705NH1
UN Number
3263
Vapor Pressure
4.4X10-2 mm Hg at 25 deg C (est);Vapor pressure, Pa at 20 °C: 0.3;
