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Home Fluorides 172333-87-8
172333-87-8,MFCD09757594
Catalog No.:AA003JDW

172333-87-8 | 3-Fluoro-5-(trifluoromethyl)phenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$44.00   $31.00
- +
5g
95%
in stock  
$75.00   $52.00
- +
25g
96%
in stock  
$278.00   $195.00
- +
100g
96%
in stock  
$1,050.00   $735.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JDW
Chemical Name:
3-Fluoro-5-(trifluoromethyl)phenol
CAS Number:
172333-87-8
Molecular Formula:
C7H4F4O
Molecular Weight:
180.0997
MDL Number:
MFCD09757594
SMILES:
Oc1cc(F)cc(c1)C(F)(F)F
Properties
Properties
 
BP:
183.3°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
156  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route
172333-87-8   
4-chloroacetyl-(3-chloro-benzyl)-amino-piperidine-1-carboxylicacid<i>tert</i>-butylester 
 
4-{(3-chloro-benzyl)-(3-fluoro-5-trifluoromethyl-phenoxy)-acetyl-amino}-piperidine-1-carboxylicacid<i>tert</i>-butylester 

[1]Ryckmans,Thomas;Balancon,Laurent;Berton,Olivier;Genicot,Christophe;Lamberty,Yves;Lallemand,Benedicte;Pasau,Patrick;Pirlot,Nathalie;Quere,Luc;Talaga,Patrice[BioorganicandMedicinalChemistryLetters,2002,vol.12,#2,p.261-264]

172333-87-8    425383-01-3   
4-{(3,4-dichloro-phenyl)-(3-fluoro-5-trifluoromethyl-phenoxy)-acetyl-amino}-piperidine-1-carboxylicacid<i>tert</i>-butylester 

[1]Ryckmans,Thomas;Balancon,Laurent;Berton,Olivier;Genicot,Christophe;Lamberty,Yves;Lallemand,Benedicte;Pasau,Patrick;Pirlot,Nathalie;Quere,Luc;Talaga,Patrice[BioorganicandMedicinalChemistryLetters,2002,vol.12,#2,p.261-264]

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2005/82879,2005,A1Locationinpatent:Page/Pagecolumn102-103

[1]Patent:US2009/68242,2009,A1.Locationinpatent:Page/Pagecolumn7

[1]CurrentPatentAssignee:PIERREFABREPARCIPATIONS-WO2011/15629,2011,A1Locationinpatent:Page/Pagecolumn78;79

Literature

Title: Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole.

Journal: PLoS biology 20060401

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SDS
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