CAS 288-32-4 Imidazole, Reagent - Materials / Alfa Chemistry

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Imidazole, Reagent

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Catalog Number

ACM288324-1

Product Name

Imidazole, Reagent

Structure

CAS

288-32-4

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

EC Number

206-019-2

Exact Mass

68.037448g/mol

Formal Charge

Heavy Atom Count

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

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