Isothiazole
[CAS# 288-16-4]

Identification

• Name: Isothiazole
• Synonyms: 1,2-Thiazole; 2-Azathiophene
• Molecular Formula: C₃H₃NS
• Molecular Weight: 85.13
• CAS Registry Number: 288-16-4
• EC Number: 811-077-2

Properties

• Solubility: Soluble (14 g/L) (25 ºC), Calc.^*
• pKa: 4.00±0.12 (Most basic temp: 25 ºC), Calc.^*
• Density: 1.1706 g/cm³ (20 ºC) ^**
• Refractive Index: 1.5320, ^***
• Melting point: 176 ºC (Decomp, solvent: water) ^***
• Boiling point: 113 ºC (770 Torr) ^****
• Flash point: -31.8±0.12 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2022 ACD/Labs)

^** Huebenett, I. F.; Angewandte Chemie, (1962), 74, 653, CAplus

^*** Adams, Arthur; Journal of the Chemical Society, (1959), 3061-72, CAplus

^**** Zimmer, Hans J.; FR1343769, 1963, CAplus

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Flammable liquids	Flam. Liq.	2	H225
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Eye irritation	Eye Irrit.	2A	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335