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162046-61-9,MFCD00052330
Catalog No.:AA001SL9

162046-61-9 | 2-(Trifluoromethoxy)benzoyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$14.00   $10.00
- +
25g
96%
in stock  
$120.00 $84.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001SL9
Chemical Name:
2-(Trifluoromethoxy)benzoyl chloride
CAS Number:
162046-61-9
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD00052330
SMILES:
ClC(=O)c1ccccc1OC(F)(F)F
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route
75-77-4    15118-60-2    162046-61-9   
C21H24F3NO4Si 

[1]JournalofMedicinalChemistry,1996,vol.39,p.2571-2578

[1]ChineseChemicalLetters,2013,vol.24,p.673-676

[2]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

[3]Patent:US2005/80074,2005,A1.Locationinpatent:Page/Pagecolumn21

[4]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2641-2644

613678-03-8    162046-61-9   
2-trifluoromethoxy-N-6-(1-methyl-piperidin-4-ylcarbonyl)-pyridin-2-yl-benzamide 

[1]CurrentPatentAssignee:ELILILLY&CO-WO2003/84949,2003,A1Locationinpatent:Page/Pagecolumn36

162046-61-9    117642-16-7   
C18H16F3NO5S 

[1]Thur,Yithachu;Bhalerao,Amit;Munshi,Zaki;Pansare,Nisha;Mann,Klaus;Hanauer,Guido;Kley,Hans-Peter;Nappe,Sandra;Weiss-Haljiti,Cornelia;Ostermann,Claude;Zitt,Christof;Schaefer,Michaela;Mondal,Dibyendu;AliSiddiki,Afsar;Armugam,Velavan;Gudaghe,Vinod;Gupta,Mahendra;Rayudu,Pramila;Dautzenberg,FrankM.;DasSarma,Koushik[BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7314-7321]

[1]Hoque,MdEmdadul;Bisht,Ranjana;Unnikrishnan,Anju;Dey,Sayan;MahamudulHassan,MirjaMd;Guria,Saikat;Rai,RamaNand;Sunoj,RaghavanB.;Chattopadhyay,Buddhadeb[AngewandteChemie-InternationalEdition,2022,vol.61,#27][Angew.Chem.,2022,vol.134,#27]

Literature
Quotation Request
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SDS
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Tags:162046-61-9 Molecular Formula|162046-61-9 MDL|162046-61-9 SMILES|162046-61-9 2-(Trifluoromethoxy)benzoyl chloride
Catalog No.: AA001SL9
162046-61-9,MFCD00052330
162046-61-9 | 2-(Trifluoromethoxy)benzoyl chloride
Pack Size： 1g
Purity： 98%
in stock
$14.00 $10.00
Pack Size： 25g
Purity： 96%
in stock
$120.00 $84.00
Quantity
- +
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Order Now
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Technical Information
Catalog Number: AA001SL9
Chemical Name: 2-(Trifluoromethoxy)benzoyl chloride
CAS Number: 162046-61-9
Molecular Formula: C8H4ClF3O2
Molecular Weight: 224.5644
MDL Number: MFCD00052330
SMILES: ClC(=O)c1ccccc1OC(F)(F)F
Properties
Form: Liquid  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 217  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
75-77-4    15118-60-2    162046-61-9   
C21H24F3NO4Si 

[1]JournalofMedicinalChemistry,1996,vol.39,p.2571-2578

1979-29-9    162046-61-9 

[1]ChineseChemicalLetters,2013,vol.24,p.673-676

[2]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

[3]Patent:US2005/80074,2005,A1.Locationinpatent:Page/Pagecolumn21

[4]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2641-2644

613678-03-8    162046-61-9   
2-trifluoromethoxy-N-6-(1-methyl-piperidin-4-ylcarbonyl)-pyridin-2-yl-benzamide 

[1]CurrentPatentAssignee:ELILILLY&CO-WO2003/84949,2003,A1Locationinpatent:Page/Pagecolumn36

162046-61-9    117642-16-7   
C18H16F3NO5S 

[1]Thur,Yithachu;Bhalerao,Amit;Munshi,Zaki;Pansare,Nisha;Mann,Klaus;Hanauer,Guido;Kley,Hans-Peter;Nappe,Sandra;Weiss-Haljiti,Cornelia;Ostermann,Claude;Zitt,Christof;Schaefer,Michaela;Mondal,Dibyendu;AliSiddiki,Afsar;Armugam,Velavan;Gudaghe,Vinod;Gupta,Mahendra;Rayudu,Pramila;Dautzenberg,FrankM.;DasSarma,Koushik[BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7314-7321]

162046-61-9    127979-74-2 

[1]Hoque,MdEmdadul;Bisht,Ranjana;Unnikrishnan,Anju;Dey,Sayan;MahamudulHassan,MirjaMd;Guria,Saikat;Rai,RamaNand;Sunoj,RaghavanB.;Chattopadhyay,Buddhadeb[AngewandteChemie-InternationalEdition,2022,vol.61,#27][Angew.Chem.,2022,vol.134,#27]

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