288-16-4

Basic information

• Product Name: Isothiazole
• Synonyms: Isothiazole;1,2-thiazole;2-Azathiophene;EOS-61208
• CAS NO: 288-16-4
• Molecular Formula: C₃H₃NS
• Molecular Weight: 85.13
• Product Categories: Pharmaceutical raw material
• Mol File: 288-16-4.mol
• Article Data: 1

Chemical Properties

• Melting Point: 176 °C (decomp)(Solv: water (7732-18-5))
• Boiling Point: 114°C(lit.)
• Flash Point: -31.787 °C
• Appearance: /
• Density: 1.1566 (rough estimate)
• Vapor Pressure: 908mmHg at 25°C
• Refractive Index: 1.5280 to 1.5320
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility: Chloroform, Ethyl Acetate
• PKA: 4.00±0.12(Predicted)
• CAS DataBase Reference: Isothiazole(CAS DataBase Reference)
• NIST Chemistry Reference: Isothiazole(288-16-4)
• EPA Substance Registry System: Isothiazole(288-16-4)

Safety Data

• RIDADR: UN 1993 3/PG II
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 288-16-4(Hazardous Substances Data)

Usage

Uses

Isothiazole, is a versatile building block that can be used in the synthesis of more complex compounds with biological activity such as the pharmaceutical drugs ziprasidone (Z485000), and perospirone (P288900).

InChI:InChI=1/C3H3NS/c1-2-4-5-3-1/h1-3H

Upstream product

• 3034-53-5 2-bromo-1,3-thiazole 

Downstream Products

• 39254-70-1 (5-chloro-2-nitro-phenyl)-isothiazol-5-yl-methanol 
• 3684-00-2 5-Acetyl-isothiazol 
• 38769-54-9 2-Benzyl-isothiazolium - Bromid 
• 17265-42-8 (4-chloro-phenyl)-isothiazol-5-yl-methanol 
• 38769-56-1 2-Benzyl-isothiazolium - Iodid 
• 38769-62-9 2-Phenylacyl-isothiazolium - Bromid 
• 56615-19-1 2-(5-Isothiazolyl)-2-propanol 
• 24340-77-0 4-bromo-1,2-thiazole 
• 10271-91-7 isothiazol-3-yl-acetic acid 
• 118173-45-8 Isothiazol-5-yl-(4-methoxy-phenyl)-phenyl-methanol 
• 101988-13-0 α,α-Diphenyl-5-isothiazolemethanol 
• 118173-48-1 (2-Chloro-phenyl)-isothiazol-5-yl-phenyl-methanol 
• 90672-90-5 Isothiazol-5-yl-(4-pentyl-phenyl)-methanol 
• 118173-46-9 Isothiazol-5-yl-phenyl-(4-trifluoromethyl-phenyl)-methanol 

Relevant articles and documents

PHOTOLYSIS OF BROMOTHIAZOLES IN HYDROGEN-DONATING SOLVENTS. A THEORETICAL STUDY AND PHYSICAL PROPERTIES OF BROMOTHIAZOLES

Uv irradiation of bromothiazoles in various organic solvents (methanol, ether, cyclohexane) produces thiazole and the isomeric isothiazole as the main reaction products.The reactivity of monobromothiazoles in this reaction decreases in the order: 2-bromothiazole > 5-bromothiazole >> 4-bromothiazole.The PPP (LCI-SCF-MO) calculations of bromothiazoles were used to interpret and discuss their various properties.The uv, NMR, and mass spectra of bromothiazoles were measured.