1-(2-Chloro-4-pyridinyl)-1,6-heptanedione
[CAS# 898785-36-9]

Identification

• Name: 1-(2-Chloro-4-pyridinyl)-1,6-heptanedione
• Synonyms: 1-(3-Chloro-4-pyridyl)-1,6-heptanedione
• Molecular Formula: C₁₂H₁₄ClNO₂
• Molecular Weight: 239.70
• CAS Registry Number: 898785-36-9
• SMILES: O=C(CCCCC(C)=O)c1ccnc(Cl)c1
• InChI: 1S/C12H14ClNO2/c1-9(15)4-2-3-5-11(16)10-6-7-14-12(13)8-10/h6-8H,2-5H2,1H3
• InChIKey: XLHRPBRTIDSKGV-UHFFFAOYSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 413.072°C at 760 mmHg (Cal.)
• Flash point: 203.619°C (Cal.)
• Refractive index: 1.518 (Cal.)