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40357-96-8,MFCD00052582
Catalog No.:AA00375S

40357-96-8 | 5-Nitrothiophene-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$8.00   $6.00
- +
1g
95%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$94.00   $66.00
- +
10g
97%
in stock  
$175.00   $123.00
- +
25g
97%
in stock  
$303.00   $212.00
- +
100g
97%
in stock  
$1,075.00   $753.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00375S
Chemical Name:
5-Nitrothiophene-3-carboxylic acid
CAS Number:
40357-96-8
Molecular Formula:
C5H3NO4S
Molecular Weight:
173.1466
MDL Number:
MFCD00052582
SMILES:
[O-][N+](=O)c1scc(c1)C(=O)O
Properties
Properties
 
BP:
367.2±27.0°C at 760 mmHg  
Form:
Solid  
MP:
147 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Campaigne;Bourgeois[JournaloftheAmericanChemicalSociety,1954,vol.76,p.2445]

[1]Campaigne;Bourgeois[JournaloftheAmericanChemicalSociety,1954,vol.76,p.2445]

aceticacid-(5-nitro-3thienylmethylester) 
  40357-96-8 

[1]Raich;Hamilton[JournaloftheAmericanChemicalSociety,1957,vol.79,p.3800,3803]

[1]Benoit;Duflos;Dupas;Bourguignon;Queguiner[JournalofHeterocyclicChemistry,1989,vol.26,#6,p.1595-1600]

[2]Campaigne;Bourgeois[JournaloftheAmericanChemicalSociety,1954,vol.76,p.2445]

[3]Rinkes[RecueildesTravauxChimiquesdesPays-Bas,1934,vol.53,p.643,648][RecueildesTravauxChimiquesdesPays-Bas,1936,vol.55,p.991]

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US5840917,1998,A

[1]Galvez,C.;Garcia,F.[JournalofHeterocyclicChemistry,1984,vol.21,p.393-395]

[2]Archer,Sydney;Seyed-Mozaffari,Ahmad;Simon,EricJ.;Gioannini,TheresaL.[EuropeanJournalofMedicinalChemistry,1989,vol.24,p.569-572]

[3]Consiglio,Giovanni;Arnone,Caterina;Spinelli,Domenico;Noto,Renato;Frenna,Vincenzo;etal.[JournaloftheChemicalSociety.PerkintransactionsII,1985,p.523-526]

[4]Locationinpatent:experimentalpartSong,Dan-Qing;Wang,Yan;Wu,Lian-Zong;Yang,Peng;Wang,Yue-Ming;Gao,Li-Mei;Li,Yan;Qu,Jing-Rong;Wang,Yong-Hong;Li,Ying-Hong;Du,Na-Na;Han,Yan-Xing;Zhang,Zhi-Ping;Jiang,Jian-Dong[JournalofMedicinalChemistry,2008,vol.51,#11,p.3094-3103]

[5]CurrentPatentAssignee:SINOCHEMHOLDINGSCORPORATIONLTD;Syngenta(in:SinochemHoldings)-WO2007/128410,2007,A1Locationinpatent:Page/Pagecolumn31

Literature
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SDS
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