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6645-69-8,MFCD00296933
Catalog No.:AA00FAZB

6645-69-8 | (4-Nitro-1h-pyrazol-1-yl)acetic acid

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Purity
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250mg
95%
in stock  
$16.00   $11.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FAZB
Chemical Name:
(4-Nitro-1h-pyrazol-1-yl)acetic acid
CAS Number:
6645-69-8
Molecular Formula:
C5H5N3O4
Molecular Weight:
171.1109
MDL Number:
MFCD00296933
SMILES:
OC(=O)Cn1ncc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.2  

Upstream Synthesis Route

[1]Patent:WO2013/174895,2013,A1,.Locationinpatent:Page/Pagecolumn70

[1]Patent:WO2006/117552,2006,A1,.Locationinpatent:Page/Pagecolumn50-52

[1]BulletinoftheAcademyofSciencesoftheUSSR,DivisionofChemicalScience(EnglishTranslation),1986,vol.35,#10,p.2191

[2]IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1986,#10,p.2392

Downstream Synthesis Route

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1986,vol.35,p.2191    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1986,p.2392

6645-69-8    68-12-2   
(E)-3-Dimethylamino-2-(4-nitro-pyrazol-1-yl)-allylidene-dimethyl-ammonium;perchlorate 

[1]BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1986,vol.35,p.2191    IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1986,p.2392

[1]Synthesis,2007,p.1697-1701

[1]Synthesis,2007,p.1697-1701

Literature
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SDS
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