Pentafluorophenyl 1-methyl-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Pentafluorophenyl 1-methyl-1H-imidazole-4-carboxylate
• CAS No.: 898288-88-5
• Molecular Formula: C11H5 F5 N2 O2
• Molecular Weight: 292.161616
• DSSTox Substance ID: DTXSID30594462
• Wikidata: Q82489292
• Mol file: 898288-88-5.mol

Synonyms:898288-88-5;Pentafluorophenyl 1-methyl-1H-imidazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) 1-methylimidazole-4-carboxylate;1H-Imidazole-4-carboxylicacid, 1-methyl-, 2,3,4,5,6-pentafluorophenyl ester;DTXSID30594462;MFCD09025820;DB-078497;A843332;J-523880;Z3244784920;[2,3,4,5,6-pentakis(fluoranyl)phenyl] 1-methylimidazole-4-carboxylate;1-methyl-4-imidazolecarboxylic acid (2,3,4,5,6-pentafluorophenyl) ester

Chemical Property of Pentafluorophenyl 1-methyl-1H-imidazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 8.3E-09mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 464.5°C at 760 mmHg
• PKA: 2.58±0.61(Predicted)
• Flash Point: 234.7°C
• PSA: 44.12000
• Density: 1.57g/cm³
• LogP: 2.33480
• Storage Temp.: Store under Argon
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 292.02711822
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

PENTAFLUOROPHENYL 1-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(N=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F