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54090-08-3,MFCD00052310
Catalog No.:AA003B4F

54090-08-3 | 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$45.00   $32.00
- +
25g
98%
in stock  
$140.00   $98.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003B4F
Chemical Name:
2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride
CAS Number:
54090-08-3
Molecular Formula:
C7H3Cl2F3O2S
Molecular Weight:
279.0637
MDL Number:
MFCD00052310
SMILES:
Clc1ccc(cc1S(=O)(=O)Cl)C(F)(F)F
Properties
Properties
 
BP:
378.6°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
322  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
1  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Gandel'sman,L.Z.etal.[Sovietprogressinchemistry,1975,vol.41,#1,p.57-61][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1975,vol.41,#1,p.61-66]

[1]Pitzer,KevinK.;Werbovetz,KarlA.;Brendle,JamesJ.;Scovill,JohnP.[JournalofMedicinalChemistry,1998,vol.41,#24,p.4885-4889]

[2]Boverie,Stéphane;Antoine,Marie-Hélène;Somers,Fabian;Becker,Bénédicte;Sebille,Sophie;Ouedraogo,Raogo;Counerotte,Stéphane;Pirotte,Bernard;Lebrun,Philippe;DeTullio,Pascal[JournalofMedicinalChemistry,2005,vol.48,#10,p.3492-3503]

[3]Gandel'sman,L.Z.etal.[Sovietprogressinchemistry,1975,vol.41,#1,p.57-61][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1975,vol.41,#1,p.61-66]

[4]Hua,Xue-Wen;Chen,Ming-Gui;Zhou,Shaa;Zhang,Dong-Kai;Liu,Ming;Zhou,Sha;Liu,Jing-Bo;Lei,Kang;Song,Hai-Bin;Li,Yong-Hong;Gu,Yu-Cheng;Li,Zheng-Ming[RSCAdvances,2016,vol.6,#27,p.23038-23047]

[1]Gandel'sman,L.Z.etal.[Sovietprogressinchemistry,1975,vol.41,#1,p.57-61][UkrainskiiKhimicheskiiZhurnal(RussianEdition),1975,vol.41,#1,p.61-66]

[2]Hua,Xue-Wen;Chen,Ming-Gui;Zhou,Shaa;Zhang,Dong-Kai;Liu,Ming;Zhou,Sha;Liu,Jing-Bo;Lei,Kang;Song,Hai-Bin;Li,Yong-Hong;Gu,Yu-Cheng;Li,Zheng-Ming[RSCAdvances,2016,vol.6,#27,p.23038-23047]

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2019/169166,2019,A1Locationinpatent:Paragraph0980;0981

123-75-1    54090-08-3   
1-(2-chloro-5-trifluoromethyl-benzenesulfonyl)-pyrrolidine 

[1]Pitzer,KevinK.;Werbovetz,KarlA.;Brendle,JamesJ.;Scovill,JohnP.[JournalofMedicinalChemistry,1998,vol.41,#24,p.4885-4889]

123-75-1    54090-08-3   
C15H19F3N2O2S 

[1]Pitzer,KevinK.;Werbovetz,KarlA.;Brendle,JamesJ.;Scovill,JohnP.[JournalofMedicinalChemistry,1998,vol.41,#24,p.4885-4889]

Literature
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SDS
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