288-32-4

Product Name: Imidazole

Formula: C3H4N2

Synonyms: Imidazole;Glyoxaline;Glyoxaline solution;Glyoxaline, 1;Glyoxaline, Iminazole

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CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Liquid, Other Solid
Color/Form	Monoclinic prisms from benzene
Odor	Amine-like odor
Boiling Point	257 °C
Melting Point	90.5 °C
Flash Point	145 °C (293 °F) - closed cup
Solubility	Very soluble in water
Density	Density: 1.0303 g/cu m at 101 °C
Vapor Density	Relative vapor density (air = 1): 2.35
Vapor Pressure	0.002 [mmHg]
LogP	-0.08
Henry's Law Constant	Henry's Law constant = 3.8X10-6 atm-cu m/mol at 25 °C (est; for the neutral species)
Stability/Shelf Life	Stable under recommended storage conditions.
Autoignition Temperature	480 °C
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), hydrogen cyanide (hydrocyanic acid).
Viscosity	2.617 mm²/s at 100 °C
pH	pH 10.5 for 38 g/L at 20 °C
Refractive Index	Index of refraction: 1.4801 at 101 °C
Dissociation Constants	6.95 (at 25 °C)
Kovats Retention Index	1055 1069 1042 1069 1095 1095
Other Experimental Properties	Viscosity: 2.696 mPa sec at 100 °C
Chemical Classes	Nitrogen Compounds -> Imidazoles

SAFETY INFORMATION

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 Health Hazard GHS08
GHS Hazard Statements	H302:Acute toxicity,oral H314:Skin corrosion/irritation
Precautionary Statement Codes	P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Molecular Weight	68.08 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	68.037448136 g/mol
Monoisotopic Mass	68.037448136 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	28.1
Isotope Atom Count	0

PRODUCT INTRODUCTION

description

1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole.