Home Fluorides 78161-82-7
78161-82-7,MFCD03840158
Catalog No.:AA0036JN

78161-82-7 | 4-[4-(Trifluoromethyl)phenoxy]benzoic acid

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Purity
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100mg
95%
in stock  
$43.00   $30.00
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250mg
95%
in stock  
$83.00   $58.00
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1g
≥ 90% (HPLC)
in stock  
$216.00   $152.00
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5g
≥ 90% (HPLC)
in stock  
$610.00   $427.00
- +
10g
≥ 90% (HPLC)
in stock  
$1,074.00   $752.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0036JN
Chemical Name:
4-[4-(Trifluoromethyl)phenoxy]benzoic acid
CAS Number:
78161-82-7
Molecular Formula:
C14H9F3O3
Molecular Weight:
282.2147
MDL Number:
MFCD03840158
SMILES:
OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
Properties
Properties
 
BP:
367.1±42.0°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
327  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Li,Feng;Meng,Qingqing;Chen,Huansheng;Li,Zhiming;Wang,Quanrui;Tao,Fenggang[Synthesis,2005,#8,p.1305-1313]

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US6518267,2003,B1

[1]CurrentPatentAssignee:SANOFI-WO2007/39171,2007,A1Locationinpatent:Page/Pagecolumn65

ethyl4-(4-(trifluoromethyl)phenoxy)benzoate 
  78161-82-7 

[1]Hou,Jin;Zhao,Wei;Huang,Zhi-Ning;Yang,Shao-Mei;Wang,Li-Juan;Jiang,Yu;Zhou,Zhong-Shi;Zheng,Man-Yi;Jiang,Ji-Li;Li,Shan-Hua;Li,Fu-Nan[ChemicalBiologyandDrugDesign,2015,vol.86,#2,p.223-231]

[2]Huang,Zhi-Ning;Liang,Han;Qiao,Hong;Wang,Bao-Rui;Qu,Ning;Li,Hua;Zhou,Run-Run;Wang,Li-Juan;Li,Shan-Hua;Li,Fu-Nan[ArchivesofPharmacalResearch,2018,vol.41,#12,p.1149-1161]

Literature
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SDS
Tags:78161-82-7 Molecular Formula|78161-82-7 MDL|78161-82-7 SMILES|78161-82-7 4-[4-(Trifluoromethyl)phenoxy]benzoic acid