1,3-Dihydro-2H-Benzimidazol-2-One
[CAS 102976-62-5]

Identification

• Name: 1,3-Dihydro-2H-Benzimidazol-2-One
• Synonyms: 1,3-dihydrobenzoimidazol-2-one; 1,3-Dihydro-benzoimidazol-2-one; 1H-benzo[d]imidazol-2(3H)-one
• Molecular Formula: C₇H₆N₂O
• Molecular Weight: 134.14
• CAS Registry Number: 102976-62-5
• SMILES: C1=CC=C2C(=C1)NC(=O)N2
• InChI: 1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
• InChIKey: SILNNFMWIMZVEQ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 314-316°C (Expl.)
• Boiling point: 123.5±7.0°C at 760 mmHg (Cal.)
• Flash point: 42.6±18.3°C (Cal.)
• Refractive index: 1.588 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Hert et al.. Quantifying biogenic bias in screening libraries, Nature Chemical Biology, 2009