5-(acetyloxy)-4-phenyl-1-Benzothiepin-3-carbonitrile
[CAS# 5866-53-5]

Identification

• Name: 5-(acetyloxy)-4-phenyl-1-Benzothiepin-3-carbonitrile
• Synonyms: (3-cyano-4-phenyl-1-benzothiepin-5-yl) acetate
• Molecular Formula: C₁₉H₁₃NO₂S
• Molecular Weight: 319.38
• CAS Registry Number: 5866-53-5
• EC Number: 828-931-5
• SMILES: CC(=O)OC1=C(C(=CSC2=CC=CC=C21)C#N)C3=CC=CC=C3

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.570, Calc.^*
• Boiling Point: 472.1±45.0 ºC (760 mmHg), Calc.^*
• Flash Point: 239.3±28.7 ºC, Calc.^*

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

Safety Data

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

Hazard Classification

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