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Home Aldehydes 1176723-57-1
1176723-57-1,MFCD13185768
Catalog No.:AA00390Q

1176723-57-1 | 2-Nitro-5-(trifluoromethyl)benzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$67.00   $47.00
- +
1g
97%
in stock  
$106.00   $75.00
- +
  • 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:
AA00390Q
Chemical Name:
2-Nitro-5-(trifluoromethyl)benzaldehyde
CAS Number:
1176723-57-1
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD13185768
SMILES:
O=Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Computed Properties
 
Complexity:
261  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,2011,vol.76,#9,p.3484-3497

[2]Patent:US2017/327487,2017,A1,.Locationinpatent:Paragraph0894;0895

Downstream Synthesis Route
1176723-57-1   
tert-butylN-(diphenylmethylidene)-2-nitro-5-(trifluoromethyl)phenylalaninate 

[1]JournalofOrganicChemistry,2011,vol.76,p.3484-3497

[1]JournalofOrganicChemistry,2011,vol.76,p.3484-3497

[1]JournalofOrganicChemistry,2011,vol.76,p.3484-3497

[1]JournalofOrganicChemistry,2011,vol.76,p.3484-3497

[1]JournalofOrganicChemistry,2011,vol.76,p.3484-3497

Literature
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SDS
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Tags:1176723-57-1 Molecular Formula|1176723-57-1 MDL|1176723-57-1 SMILES|1176723-57-1 2-Nitro-5-(trifluoromethyl)benzaldehyde