4'-Isocyanatoacetophenone
[CAS# 49647-20-3]

Identification

• Name: 4'-Isocyanatoacetophenone
• Synonyms: NSC 223088; p-Acetylphenyl isocyanate
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• CAS Registry Number: 49647-20-3
• EC Number: 628-339-5

Properties

• Solubility: Very slightly soluble (0.53 g/L) (25 ºC), Calc.^*
• Density: 1.09±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 141-142 ºC (acetonitrile hexane )^**
• Boiling point: 139 ºC (14 Torr)^***
• Refractive index: 1.6453 (589.3 nm 25 ºC)^****
• Flash point: 107.7±28.0 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2019 ACD/Labs)

^** Nagamatsu, Kentaro; Heterocycles 2004, V64, P291-303.

^*** Mangini, A.; Bollettino Scientifico della Facolta di Chimica Industriale di Bologna 1958, V16, P18-28.

^**** McMillan, Freeman H.; Journal of the American Chemical Society 1950, V72, P4323-4.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	3	H331
Eye irritation	Eye Irrit.	2A	H319
Respiratory sensitization	Resp. Sens.	1	H334