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CAS Number: 58157-89-4
1-(5-nitrothiophen-3-yl)ethanone

Structure

 1-(5-nitrothiophen-3-yl)ethanone
Name: 1-(5-nitrothiophen-3-yl)ethanone
Synonyms:
General Information
Product Number: 58157894

CAS Registry Number 58157-89-4
Name:
Ethanone, 1-?(5-?nitro-?3-?thienyl)?-
1-(5-Nitro-3-thienyl)ethanone
2-Nitro-4-acetylthiophene

 

Chemical Formula: C6H5NO3S
Exact Mass: 171.00
Molecular Weight: 171.17
m/z: 171.00 (100.0%), 172.00 (7.8%), 172.99 (4.5%)

 

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

InChI Key:JGXUDXHPIWIXJZ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 62 °C   (3)IC
Melting Point 61-62 °C   (4)IC

Specification

98%
References
  1. (3) Benoit, R.; Journal of Heterocyclic Chemistry 1989, V26(6), P1595-600 CAPLUS
  2. (4) Newcombe, Peter J.; Australian Journal of Chemistry 1981, V34(9), P1879-86 CAPLUS
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