fluoromethyl 1H-imidazole-1-carboxylate

Base Information

• Chemical Name: fluoromethyl 1H-imidazole-1-carboxylate
• CAS No.: 166331-84-6
• Molecular Formula: C5H5 F N2 O2
• Molecular Weight: 144.1
• DSSTox Substance ID: DTXSID20451595
• Wikidata: Q82271685
• Mol file: 166331-84-6.mol

Synonyms:166331-84-6;fluoromethyl 1H-imidazole-1-carboxylate;Fluoromethyl Imidazole-1-carboxylate;1H-Imidazole-1-carboxylicacid,fluoromethylester(9CI);DTXSID20451595;Fluoromethyl1H-imidazole-1-carboxylate;Imidazole-1-carboxylic acid fluoromethyl ester

Chemical Property of fluoromethyl 1H-imidazole-1-carboxylate

Chemical Property:

• Boiling Point: 229.8±42.0 °C(Predicted)
• PKA: 2.89±0.10(Predicted)
• PSA: 44.12000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 0.79480
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 144.03350557
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(=O)OCF