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Home Other Building Blocks 94-00-8
94-00-8,MFCD00059787
Catalog No.:AA00GVQ2

94-00-8 | Phenyl isonicotinate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$166.00   $117.00
- +
25g
>98.0%(GC)(T)
in stock  
$231.00   $162.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GVQ2
Chemical Name:
Phenyl isonicotinate
CAS Number:
94-00-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD00059787
SMILES:
O=C(c1ccncc1)Oc1ccccc1
Properties
Computed Properties
 
Complexity:
206  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Downstream Synthesis Route

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1953,vol.73,p.601,604    Chem.Abstr.,1954,p.9363

[1]ChemistryLetters,1990,p.267-268

[2]BulletinoftheChemicalSocietyofJapan,1998,vol.71,p.1125-1135

[1]BenHalima,Taoufik;Vandavasi,JayaKishore;Shkoor,Mohanad;Newman,StephenG.[ACSCatalysis,2017,vol.7,#3,p.2176-2180]

Literature
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Additional Info:
SDS
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Tags:94-00-8 Molecular Formula|94-00-8 MDL|94-00-8 SMILES|94-00-8 Phenyl isonicotinate