2-methyl-1H-imidazole

• ChemBase ID: 85901
• Molecular Formular: C4H6N2
• Molecular Mass: 82.10384
• Monoisotopic Mass: 82.0530982
• SMILES: [nH]1c(ncc1)C
• Canonical SMILES: Cc1ncc[nH]1
• InChI: InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)
• InChIKey: LXBGSDVWAMZHDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-imidazole
• IUPAC Traditional name: 1H-imidazole, 2-methyl-
• Synonyms: 2-Methylglyoxaline; 2-Methylimidazole; 2-METHYLIMIDAZOLE; 2-Methyl-1H-imidazole; Ondansetron impurity F (PhEur); 1H-2-Methylimidazole; 2-Methyl-1H-imidazole; 2MZ; 2MZ-H; 2MZ-PW; Actiron 2MI; Curezol 2MZ; Curezol 2MZ-P; Denka CN 25; Epicure MI 2; Epikure MI 2; Imicure AMI 2; NSC 21394; 2-甲基-1,3-氮杂茂; 2-甲基咪唑

Database IDs

• CAS Number: 693-98-1
• EC Number: 211-765-7
• MDL Number: MFCD00005190
• Beilstein Number: 1368
• PubChem SID: 24896976; 162073017; 24885297
• PubChem CID: 12749

CALCULATED PROPERTIES

• Acid pKa: 13.924599
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0534854
• LogD (pH = 7.4): -0.3397188
• Log P: -0.022159476
• Molar Refractivity: 23.4535 cm^3
• Polarizability: 8.9042 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142°C; 142-143 °C(lit.); 142-144°C; 144-146 °C
• Boiling Point: 267°C; 267-268 °C(lit.); 267-268°C
• Flash Point: 155°C(311°F)
• Vapor Pressure: <1 mmHg ( 0 °C)

Safety Information

• Storage Warning: Harmful/Corrosive
• RTECS: NI7175000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3259; UN1759
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 22-34; R:34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (HPLC); ≥98.0% (NT); 97%; 98%; 99%
• Grade: purum
• Impurities: ≤10.0% related substances; ≤5.0% solvents; ≤5.0% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C4H6N2

DETAILS

MP Biomedicals - 05209381

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M50850

Packaging
100, 500 g in poly bottle
Protocols & Applications
Metal Organic Framework Linkers Technology Spotlight

Toronto Research Chemicals - M312985

2-Methylimidazole is a monomethylated imidazole that can be used as a building block in the preparation of a wide range of biologically active compounds. 2-Methylimidazole as well as other imidazoles can be use as catalyst for refolding of enhanced colour

REFERENCES

• Shi, R. et al.: Arch. Biochem. Biophys., 459, 122 (2007)
• Chan, P.C. et al.: Arch. Toxicol., 82, 399 (2007)
• Nishie, K. et al.: Toxicol. Appl. Pharmacol., 14, 301 (2007)