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Imidazole, Reagent

Catalog Number
ACM288324-1
CAS Number
288-32-4
Product Name
Imidazole, Reagent
Structure
Category
Metal Organic Frameworks (MOFs)
Description
OtherSolid;Solid;COLOURLESS-TO-YELLOW CRYSTALS WITH CHARACTERISTIC ODOUR.
IUPAC Name
1H-imidazole
Molecular Weight
68.08g/mol
Molecular Formula
C3H4N2;C3H4N2;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
257.0 °C;257 °C;268 °C
Melting Point
90.5 °C;89.52 °C;90.5°C;89 °C
Flash Point
145 °C (293 °F) - closed cup;145 °C c.c.
Density
Relative density (water = 1): 1.03
Solubility
Very soluble in water;In water, 241 g/100 g at 20 °C;In water, 2060 g/kg H₂O at 19 °C;In water, 663 g/L at 20 °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)
Color/Form
Monoclinic prisms from benzene;Colorless crystals;Colorless-yellow solid
Complexity
28.1
Covalently-Bonded Unit Count
1
EC Number
206-019-2
Exact Mass
68.037448g/mol
Formal Charge
0
Heavy Atom Count
5
ICSC Number
1721
Log P
-0.08 (LogP);log Kow = -0.08;-0.08;-0.02
MeSH Entry Terms
Al-imidazole;Cu-imidazole;imidazole;imidazole acetate;imidazole citrate;imidazole conjugate monoacid;imidazole monohydrochloride;imidazole monophosphonate;imidazole sodium;imidazolium chloride
Monoisotopic Mass
68.037448g/mol
NSC Number
60522
Odor
Amine-like odor
Other Experimental
Density: 1.0303 g/cu m at 101 °C;Index of refraction: 1.4801 at 101 °C;Viscosity: 2.696 mPa sec at 100 °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 °C) = 57.12 kJ/mol;log Kow = -0.02 at 25 °C;Vapor pressure = 0.327 Pa at 25 °C (2.25X10-2 mm Hg at 25 °C);Henry's Law constant = 3.8X10-6 atm-cu m/mol at 25 °C (est; for the neutral species);Hydroxyl radical reaction rate constant = 3.6X10-11 cu cm/mole-sec at 24 °C
Rotatable Bond Count
0
RTECS Number
NI3325000
Stability
Stable under recommended storage conditions.
UNII
7GBN705NH1
UN Number
3263
Vapor Density
Relative vapor density (air = 1): 2.35
Vapor Pressure
4.4X10-2 mm Hg at 25 °C (est);Vapor pressure, Pa at 20 °C: 0.3
Viscosity
2.617 mm2/s at 100 °C
XLogP3
-0.1
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