Home Fluorides 70126-48-6
70126-48-6,MFCD00155925
Catalog No.:AA003HWB

70126-48-6 | 3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid

Pack Size
Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$45.00   $32.00
- +
5g
95%
in stock  
$102.00   $71.00
- +
25g
95%
in stock  
$261.00   $183.00
- +
100g
95%
in stock  
$1,009.00   $706.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HWB
Chemical Name:
3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
CAS Number:
70126-48-6
Molecular Formula:
C9H6F4O3
Molecular Weight:
238.1358
MDL Number:
MFCD00155925
SMILES:
FC(C(Oc1cccc(c1)C(=O)O)(F)F)F
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BASFSE-US4832879,1989,A

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2007/265304,2007,A1Locationinpatent:Page/Pagecolumn27;31

[3]Locationinpatent:experimentalpartWang,Aihua;Zhang,Yan;Lu,Songfeng;Murray,WilliamV.;Kuo,Gee-Hong[JournalofHeterocyclicChemistry,2010,vol.47,#6,p.1406-1410]

[4]Idoux,JohnP.;Gibbs-Rein,KathleenS.;GuptonJohnT.;CunninghamGlennN.[JournalofChemicalandEngineeringData,1988,vol.33,#3,p.385-388]

[5]Hamprecht,Gerhard;Würzer,Bruno;Witschel,Matthias[Chimia,2004,vol.58,#3,p.117-122]

[6]Li,Jian-Jun;Wang,Cheng-Gang;Yu,Jin-Feng;Wang,Peng;Wang,Peng;Yu,Jin-Quan[OrganicLetters,2020,vol.22,#12,p.4692-4696]

[1]Hamprecht,Gerhard;Würzer,Bruno;Witschel,Matthias[Chimia,2004,vol.58,#3,p.117-122]

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2007/265304,2007,A1Locationinpatent:Page/Pagecolumn26;30

[2]Rano,ThomasA.;Kuo,Gee-Hong[OrganicLetters,2009,vol.11,#13,p.2812-2815]

C18H18N4O 
  70126-48-6   
C27H22F4N4O3 

[1]Hodous,BrianL.;Geuns-Meyer,StephanieD.;Hughes,PaulE.;Albrecht,BrianK.;Bellon,Steve;Caenepeel,Sean;Cee,VictorJ.;Chaffee,StuartC.;Emery,Maurice;Fretland,Jenne;Gallant,Paul;Gu,Yan;Johnson,RebeccaE.;Kim,JosephL.;Long,AlexanderM.;Morrison,Michael;Olivieri,PhilipR.;Patel,VinodF.;Polverino,Anthony;Rose,Paul;Wang,Ling;Zhao,Huilin[BioorganicandMedicinalChemistryLetters,2007,vol.17,#10,p.2886-2889]

Literature
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SDS
Tags:70126-48-6 Molecular Formula|70126-48-6 MDL|70126-48-6 SMILES|70126-48-6 3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid |Halogenated_Heterocycles