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Home Carboxes 88770-22-3
88770-22-3,MFCD01934527
Catalog No.:AA004CX0

88770-22-3 | Methyl 5-nitrothiophene-3-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95+%
1 week  
$209.00   $146.00
- +
250mg
95+%
1 week  
$413.00   $289.00
- +
1g
95+%
1 week  
$1,326.00   $928.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004CX0
Chemical Name:
Methyl 5-nitrothiophene-3-carboxylate
CAS Number:
88770-22-3
Molecular Formula:
C6H5NO4S
Molecular Weight:
187.1732
MDL Number:
MFCD01934527
SMILES:
COC(=O)c1csc(c1)[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Patent:WO2006/123145,2006,A1.Locationinpatent:Page/Pagecolumn44

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

[3]JournalofMolecularStructure,2012,vol.1010,p.158-168

[1]Lange,UdoE.W.;Backfisch,Gisela;Delzer,Juergen;Geneste,Herve;Graef,Claudia;Hornberger,Wilfried;Kling,Andreas;Lauterbach,Arnulf;Subkowski,Thomas;Zechel,Christian[BioorganicandMedicinalChemistryLetters,2002,vol.12,#10,p.1379-1382]

[1]Patent:WO2008/156614,2008,A2.Locationinpatent:Page/Pagecolumn131

[2]Patent:WO2006/123145,2006,A1.Locationinpatent:Page/Pagecolumn45

[3]BioorganicandMedicinalChemistryLetters,2002,vol.12,p.1379-1382

[1]CurrentPatentAssignee:MERCK&COINC-WO2008/156614,2008,A2Locationinpatent:Page/Pagecolumn130-131

[1]Locationinpatent:experimentalpartBrasca,Romina;Kneeteman,MaríaN.;Mancini,PedroM.E.;Fabian,WalterM.F.[JournalofMolecularStructure,2012,vol.1010,p.158-168]

Literature
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SDS
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