1-Methyl-1H-imidazol-5-yl isocyanate

Base Information

• Chemical Name: 1-Methyl-1H-imidazol-5-yl isocyanate
• CAS No.: 499770-99-9
• Molecular Formula: C5H5N3O
• Molecular Weight: 123.1127
• DSSTox Substance ID: DTXSID00590476
• Mol file: 499770-99-9.mol

Synonyms:499770-99-9;1-Methyl-1H-imidazol-5-yl isocyanate;5-isocyanato-1-methylimidazole;5-isocyanato-1-methyl-1H-imidazole;1-methyl-1h-imidazol-5-ylisocyanate;SCHEMBL3054409;DTXSID00590476;MFCD05664671;AKOS006230552;SY296830;DB-008063;A827914

Chemical Property of 1-Methyl-1H-imidazol-5-yl isocyanate

Chemical Property:

• Vapor Pressure: 0.0105mmHg at 25°C
• Melting Point: 40.5℃
• Refractive Index: 1.584
• Boiling Point: 263.1 °C at 760 mmHg
• PKA: 5.56±0.22(Predicted)
• Flash Point: 112.9 °C
• PSA: 47.25000
• Density: 1.22 g/cm³
• LogP: 0.38740
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.043261792
• Heavy Atom Count: 9
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

1-METHYL-1H-IMIDAZOL-5-YL ISOCYANATE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC=C1N=C=O