39565-00-9

Basic information

• Product Name: 2-ACETYL-5-NITROTHIOPHENE
• Synonyms: 1-(5-Nitro-2-thienyl)ethanone;2-acetyl-5-nitro-thiophen;Ethanone, 1-(5-nitro-2-thienyl)-;ketone,methyl(5-nitro-2-thienyl);Thiophene, 2-acetyl-5-nitro-;BUTTPARK 121\08-11;5-NITRO-2-THIENYL METHYL KETONE;2-ACETYL-5-NITROTHIOPHENE
• CAS NO: 39565-00-9
• Molecular Formula: C₆H₅NO₃S
• Molecular Weight: 171.17
• Mol File: 39565-00-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 107-108°C
• Boiling Point: 268.9°Cat760mmHg
• Flash Point: 116.4°C
• Appearance: /
• Density: 1.399g/cm³
• Vapor Pressure: 0.00747mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: 2-8°C(protect from light)
• BRN: 131129
• CAS DataBase Reference: 2-ACETYL-5-NITROTHIOPHENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ACETYL-5-NITROTHIOPHENE(39565-00-9)
• EPA Substance Registry System: 2-ACETYL-5-NITROTHIOPHENE(39565-00-9)

Safety Data

• Statements: 20/21/22-40
• Safety Statements: 22-36/37/39
• RIDADR: UN2811
• RTECS: OB5040000
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 39565-00-9(Hazardous Substances Data)

Usage

Safety Profile

Mutation data reported. Aflammable liquid. When heated to decomposition it emitstoxic vapors of NOx and SOx.

InChI:InChI=1/C6H5NO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3

Upstream product

• 88-15-3 2-Acetylthiophene 
• 108-24-7 acetic anhydride 

Downstream Products

• 91394-79-5 1-(5-nitro-[2]thienyl)-ethanone-(4-bromo-phenylhydrazone) 
• 6317-37-9 5-nitrothiophene-2-carboxylic acid 
• 98453-29-3 2-acetyl-5-nitrothiophene E-oxime 
• 1020847-61-3 1-(4-nitrophenyl)-4-(5-nitrothiophen-2-yl)butane-1,4-dione 
• 98453-30-6 2-acetyl-5-nitrothiophene Z-oxime 

Relevant articles and documents

Ethylammonium nitrate (EAN)/Tf2O and EAN/TFAA: Ionic liquid based systems for aromatic nitration

Acting as in situ sources of triflyl nitrate (TfONO2) and trifluoroacetyl nitrate (CF3COONO2), the EAN/Tf 2O and EAN/TFAA systems, generated via metathesis in the readily available ethylammonium nitrate (EAN) ionic liquid as solvent, are powerful electrophilic nitrating reagents for a wide variety of aromatic and heteroaromatic compounds. Comparative nitration experiments indicate that EAN/Tf2O is superior to EAN/TFAA for nitration of strongly deactivated systems. Both systems exhibit low substrate selectivity (K T/KB = 5-10) in (Figure presented) between values reported for covalent nitrates and preformed nitronium salts.