CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] Light yellow solid; [NTP] Light yellow powder; [Sigma-Aldrich MSDS] |
|---|---|
| Color/Form | Crystals |
| Boiling Point | 263 °C |
| Melting Point | 56 °C |
| Flash Point | 157 °C (315 °F) (closed cup) |
| Solubility | Very soluble in ethanol |
| Density | 1.0416 g/cu cm at 14 °C |
| Vapor Pressure | 0.01 [mmHg] |
| LogP | log Kow = 0.23 |
| Autoignition Temperature | 555 °C |
| Refractive Index | Index of refraction = 1.5037 at 14 °C/D |
| Kovats Retention Index | 1198 1198 |
| Chemical Classes | Nitrogen Compounds -> Imidazoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P270:Do not eat, drink or smoke when using this product. 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 | 82.10 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 82.053098200 g/mol |
| Monoisotopic Mass | 82.053098200 g/mol |
| Topological Polar Surface Area | 28.7 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 44.8 |
| 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
4-methylimidazole is imidazole substituted at position 4 by a methyl group. It has a role as a carcinogenic agent and a reaction intermediate.