Home Fluorides 220227-29-2
220227-29-2,MFCD00061170
Catalog No.:AA003LA6

220227-29-2 | 4-Fluoro-2-(trifluoromethyl)benzyl alcohol

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250mg
97%
in stock  
$21.00   $15.00
- +
1g
97%
in stock  
$28.00   $20.00
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5g
97%
in stock  
$34.00   $24.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003LA6
Chemical Name:
4-Fluoro-2-(trifluoromethyl)benzyl alcohol
CAS Number:
220227-29-2
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD00061170
SMILES:
OCc1ccc(cc1C(F)(F)F)F
Properties
Properties
 
BP:
189.5°C at 760 mmHg  
Form:
Solid  
MP:
55-57 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
168  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route
220227-29-2   
piperazine-1-carboxylicacid4-fluoro-2-trifluoromethyl-benzylesterhydrochloride 

[1]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC;ROCHEHOLDINGAG-US2002/143020,2002,A1

524-38-9    220227-29-2   
C16H9F4NO3 

[1]Malachowski,WilliamP.;Winters,Maria;DuHadaway,JamesB.;Lewis-Ballester,Ariel;Badir,Shorouk;Wai,Jenny;Rahman,Maisha;Sheikh,Eesha;LaLonde,JudithM.;Yeh,Syun-Ru;Prendergast,GeorgeC.;Muller,AlexanderJ.[EuropeanJournalofMedicinalChemistry,2016,vol.108,p.564-576]

[1]Malachowski,WilliamP.;Winters,Maria;DuHadaway,JamesB.;Lewis-Ballester,Ariel;Badir,Shorouk;Wai,Jenny;Rahman,Maisha;Sheikh,Eesha;LaLonde,JudithM.;Yeh,Syun-Ru;Prendergast,GeorgeC.;Muller,AlexanderJ.[EuropeanJournalofMedicinalChemistry,2016,vol.108,p.564-576]

[1]Malachowski,WilliamP.;Winters,Maria;DuHadaway,JamesB.;Lewis-Ballester,Ariel;Badir,Shorouk;Wai,Jenny;Rahman,Maisha;Sheikh,Eesha;LaLonde,JudithM.;Yeh,Syun-Ru;Prendergast,GeorgeC.;Muller,AlexanderJ.[EuropeanJournalofMedicinalChemistry,2016,vol.108,p.564-576]

Literature
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Tags:220227-29-2 Molecular Formula|220227-29-2 MDL|220227-29-2 SMILES|220227-29-2 4-Fluoro-2-(trifluoromethyl)benzyl alcohol