Home Fluorides 136547-16-5
136547-16-5,MFCD13186003
Catalog No.:AA007ZZD

136547-16-5 | 4-(Trifluoromethyl)pyrimidine

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Purity
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100mg
95%
in stock  
$90.00   $63.00
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250mg
95%
in stock  
$105.00   $73.00
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1g
98%(GC)
in stock  
$396.00   $277.00
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5g
98%(GC)
in stock  
$1,207.00   $845.00
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10g
98%(GC)
in stock  
$2,032.00   $1,423.00
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25g
98%(GC)
in stock  
$3,788.00   $2,652.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007ZZD
Chemical Name:
4-(Trifluoromethyl)pyrimidine
CAS Number:
136547-16-5
Molecular Formula:
C5H3F3N2
Molecular Weight:
148.0859
MDL Number:
MFCD13186003
SMILES:
FC(c1ccncn1)(F)F
Properties
Computed Properties
 
Complexity:
112  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
XLogP3:
0.7  

Downstream Synthesis Route

[1]ChemistryofHeterocyclicCompounds,1991,vol.27,p.398-406    KhimiyaGeterotsiklicheskikhSoedinenii,1991,p.502-511

Literature

Title: Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115

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SDS
Tags:136547-16-5 Molecular Formula|136547-16-5 MDL|136547-16-5 SMILES|136547-16-5 4-(Trifluoromethyl)pyrimidine