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
| 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
| 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 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 28.1 |
| Isotope Atom Count | 0 |
| 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 |
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.
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