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Home Fluorides 672-45-7
672-45-7,MFCD00052900
Catalog No.:AA003MXN

672-45-7 | 6-(Trifluoromethyl)pyrimidine-2,4-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$11.00   $8.00
- +
5g
95%
in stock  
$43.00   $30.00
- +
10g
95%
in stock  
$84.00   $59.00
- +
25g
97%
in stock  
$137.00   $96.00
- +
100g
97%
in stock  
$502.00   $352.00
- +
  • 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:
AA003MXN
Chemical Name:
6-(Trifluoromethyl)pyrimidine-2,4-diol
CAS Number:
672-45-7
Molecular Formula:
C5H3F3N2O2
Molecular Weight:
180.0847
MDL Number:
MFCD00052900
SMILES:
O=c1[nH]c(=O)[nH]c(c1)C(F)(F)F
Properties
Properties
 
BP:
391.3 °C at 760 mmHg  
Form:
Solid  
MP:
230-235 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
268  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
XLogP3:
-0.3  

Upstream Synthesis Route

[1]Patent:WO2015/57945,2015,A1,.Locationinpatent:Paragraph00121

[2]JournalofOrganicChemistry,1959,vol.24,p.113

[3]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5744,5751

[1]JournalofOrganicChemistry,1959,vol.24,p.113

[2]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5744,5751

[3]Patent:US2009/93480,2009,A1,.Locationinpatent:Page/Pagecolumn6-7

[1]JournalofMedicinalChemistry,1996,vol.39,#8,p.1720-1728

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#4,p.1026-1031

[1]JournaloftheAmericanChemicalSociety,1958,vol.80,p.5744,5751

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1959,p.3278,3282

[1]JournalofOrganicChemistry,1959,vol.24,p.113

[2]Patent:US2009/93480,2009,A1.Locationinpatent:Page/Pagecolumn6-7

[1]JournalofFluorineChemistry,1993,vol.63,p.43-52

[1]JournalofOrganicChemistry,1990,vol.55,p.1396-1399

[2]JournalofOrganicChemistry,1990,vol.55,p.1396-1399

[1]Patent:US2009/93480,2009,A1.Locationinpatent:Page/Pagecolumn6-7

[2]Patent:WO2016/42452,2016,A1.Locationinpatent:Page/Pagecolumn114;115

[3]Patent:WO2016/42453,2016,A1.Locationinpatent:Page/Pagecolumn51

[4]EuropeanJournalofOrganicChemistry,2006,p.1593-1598

[5]Patent:WO2015/191630,2015,A1.Locationinpatent:Paragraph00398

[6]Patent:WO2015/57945,2015,A1.Locationinpatent:Paragraph00122

Literature

Title: 6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

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SDS
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