2-Methylimidazole

• Catalog Number: ACM693981
• Product Name: 2-Methylimidazole
• CAS: 693-98-1
• Category: Imidazoles
• Description: DryPowder; OtherSolid
• Synonyms: 2-Methylglyoxaline
• IUPAC Name: 2-methyl-1H-imidazole
• Molecular Weight: 82.11
• Molecular Formula: C4H6N2
• Canonical SMILES: CC1=NC=CN1
• InChI: 1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
• InChI Key: LXBGSDVWAMZHDD-UHFFFAOYSA-N
• Boiling Point: 267.0 °C;267 °C
• Melting Point: 144 °C
• Density: 1.062 g/cm³
• Solubility: Very soluble in ethanol;In water, 8.09X10+4 mg/L at 25 °C (est)
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas, 2-8℃
• Color/Form: Solid
• Complexity: 44.8
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 211-765-7
• Exact Mass: 82.053098g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.H360 : May damage fertility or the unborn child.H371 : May cause damage to organs.H373 : May cause damage to organs through prolonged or repeated exposure.H341 : Suspected of causing genetic defects.H351 : Suspected of causing cancer.
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 6
• LogP: 0.24 (LogP);log Kow = 0.24
• MDL Number: MFCD00005190
• Monoisotopic Mass: 82.053098g/mol
• NSC Number: 21394
• Other Experimental: Henry's Law constant = 4.14X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 9.41X10-11 cu cm/molec-sec at 25 °C (est)
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.
• Refractive Index: 1.62
• Rotatable Bond Count: 0
• Signal Word: Danger
• SpecificGravity: 1.16
• UNII: T0049Z45LZ
• Vapor Pressure: 6.9X10-4 mm Hg at 25 °C (est)
• XLogP3: 0.2