3-Cyanocoumarin
[CAS# 15119-34-3]

Identification

• Name: 3-Cyanocoumarin
• Molecular Formula: C₁₀H₅NO₂
• Molecular Weight: 171.15
• CAS Registry Number: 15119-34-3
• EC Number: 681-439-0
• SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C#N

Properties

• Solubility: 1140 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.621, Calc.^*
• Melting point: 104.17 °C
• Boiling Point: 355.30 °C, 350.7±21.0 °C (760 mmHg), Calc.^*
• Flash Point: 167.2±8.8 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

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