2-Chlorocyclohepta-2,4,6-Trien-1-One
[CAS# 3839-48-3]

Identification

• Name: 2-Chlorocyclohepta-2,4,6-Trien-1-One
• Synonyms: 2-Chloro-1-Cyclohepta-2,4,6-Trienone; 2,4,6-Cycloheptatrien-1-One, 2-Chloro-; 2-Chlorocycloheptatrienone
• Molecular Formula: C₇H₅ClO
• Molecular Weight: 140.57
• CAS Registry Number: 3839-48-3
• SMILES: O=C1C(=CC=CC=C1)Cl
• InChI: 1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H
• InChIKey: MTHNMAUDCHXFMM-UHFFFAOYSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 250.846°C at 760 mmHg (Cal.)
• Flash point: 102.674°C (Cal.)

References

• (1): Yuhki Mitsumoto and Makoto. Nitta. Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 2268.