1-(2-Chlorophenyl)Isoquinoline
[CAS# 439614-58-1]

Identification

• Name: 1-(2-Chlorophenyl)Isoquinoline
• Synonyms: 1-(2-Chloro-phenyl)-isoquinoline; InChI=1/C15H10ClN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-10H
• Molecular Formula: C₁₅H₁₀ClN
• Molecular Weight: 239.70
• CAS Registry Number: 439614-58-1
• SMILES: C1=CC=C2C(=C1)C=CN=C2C3=CC=CC=C3Cl
• InChI: 1S/C15H10ClN/c16-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-17-15/h1-10H
• InChIKey: XCBXOXQHBSFYBO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 359.8±22.0°C at 760 mmHg (Cal.)
• Flash point: 202.7±7.9°C (Cal.)
• Refractive index: 1.661 (Cal.)

References

• (1): Yves L. Janin, Emmanuel Roulland, Arnaud Beurdeley-Thomas, Didier Decaudin, Claude Monneret and Marie-France Poupon. Synthetic approaches to 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 529.