5-Isoquinolinecarbonitrile
[CAS# 27655-41-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Isoquinoline compound
• Name: 5-Isoquinolinecarbonitrile
• Synonyms: 5-Cyanoisoquinoline
• Molecular Formula: C₁₀H₆N₂
• Molecular Weight: 154.17
• CAS Registry Number: 27655-41-0
• EC Number: 691-364-5

Properties

• Solubility: Very slightly soluble (0.66 g/L) (25 ºC), Calc.^*
• Density: 1.21±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 138-140 ºC^**
• Boiling point: 341.5±15.0 ºC (760 Torr), Calc.^*
• Flash point: 119.8±5.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2013 ACD/Labs)

^** Loge, Cedric; Journal of Enzyme Inhibition and Medicinal Chemistry 2003, V18(2), P127-138.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2	H319
Eye irritation	Eye Irrit.	2A	H319