1-(5-Nitrothiophen-3-yl)ethanone

Base Information

• Chemical Name: 1-(5-Nitrothiophen-3-yl)ethanone
• CAS No.: 58157-89-4
• Molecular Formula: C₆H₅NO₃S
• Molecular Weight: 171.177
• DSSTox Substance ID: DTXSID90370648
• Nikkaji Number: J270.017D
• Wikidata: Q82157777
• Mol file: 58157-89-4.mol

Synonyms:58157-89-4;4-Acetyl-2-nitrothiophene;1-(5-nitrothiophen-3-yl)ethanone;1-(5-nitro-3-thienyl)ethan-1-one;1-(5-nitrothiophen-3-yl)ethan-1-one;Maybridge1_007887;2-Nitro-4-acetylthiophene;SCHEMBL18499649;HMS563O11;JGXUDXHPIWIXJZ-UHFFFAOYSA-;DTXSID90370648;CCG-49611;MFCD00084862;SEW 03166;AKOS006228636;CS-0257576;FT-0605797;EN300-6739751;A831762;SR-01000639058-1;InChI=1/C6H5NO3S/c1-4(8)5-2-6(7(9)10)11-3-5/h2-3H,1H3

Chemical Property of 1-(5-Nitrothiophen-3-yl)ethanone

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.025mmHg at 25°C
• Melting Point: 59 °C
• Refractive Index: 1.589
• Boiling Point: 247.9 °C at 760 mmHg
• Flash Point: 103.7 °C
• PSA: 91.13000
• Density: 1.399 g/cm³
• LogP: 2.38210
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.99901420
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

4-ACETYL-2-NITROTHIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CSC(=C1)[N+](=O)[O-]

Technology Process of 1-(5-Nitrothiophen-3-yl)ethanone

There total 2 articles about 1-(5-Nitrothiophen-3-yl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

1-(thiophen-3-yl)-ethanone (1468-83-3) → 1-(5'-nitro-3'-thienyl)ethanone (58157-89-4)

Guidance literature:

With sulfuric acid; nitric acid; at -10 - -5 ℃;

DOI:10.1002/jhet.5570260616

Reference yield:

C7H8NO4S(1-) → 1-(5'-nitro-3'-thienyl)ethanone (58157-89-4)

Guidance literature:

In methanol; at 25 ℃; Rate constant; Equilibrium constant;

upstream raw materials:

1-(thiophen-3-yl)-ethanone

Refernces

• 1、 Arnone, Caterina,Consiglio, Giovanni,Spinelli, Domenico,Dell'Erba, Carlo,Sancassan, Fernando,Terrier, Francois. "Meisenheimer-type Adducts from Thiophene Derivates. Part 6. A Kinetic and Thermodynamic Study of Substituent Effects on the Formation of Some non-gem Adducts". . p. 1609 - 1612. Retrieved 2007/10/02.