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72850-52-3,MFCD02956778
Catalog No.:AA00FB7H

72850-52-3 | Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$13.00   $9.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00FB7H
Chemical Name:
Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CAS Number:
72850-52-3
Molecular Formula:
C7H5ClF3NO2S
Molecular Weight:
259.6333
MDL Number:
MFCD02956778
SMILES:
CCOC(=O)c1sc(nc1C(F)(F)F)Cl
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Upstream Synthesis Route

[1]Patent:WO2010/56588,2010,A1,.Locationinpatent:Page/Pagecolumn13

[1]Patent:US4251261,1981,A,

[2]Patent:US4437875,1984,A,

[3]Patent:US4437876,1984,A,

[4]Patent:US4199506,1980,A,

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofFluorineChemistry,2006,vol.127,#6,p.796-799

[1]JournalofHeterocyclicChemistry,2017,vol.54,#6,p.3395-3402

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofFluorineChemistry,2006,vol.127,p.796-799

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

Literature
Quotation Request
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SDS
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Tags:72850-52-3 Molecular Formula|72850-52-3 MDL|72850-52-3 SMILES|72850-52-3 Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Catalog No.: AA00FB7H
72850-52-3,MFCD02956778
72850-52-3 | Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Pack Size： 100mg
Purity： 95%
in stock
$13.00 $9.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00FB7H
Chemical Name: Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CAS Number: 72850-52-3
Molecular Formula: C7H5ClF3NO2S
Molecular Weight: 259.6333
MDL Number: MFCD02956778
SMILES: CCOC(=O)c1sc(nc1C(F)(F)F)Cl
Properties
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Upstream Synthesis Route
344-72-9    110-46-3    72850-52-3 

[1]Patent:WO2010/56588,2010,A1,.Locationinpatent:Page/Pagecolumn13

72850-53-4    141860-78-8    2757-23-5    72850-52-3 

[1]Patent:US4251261,1981,A,

[2]Patent:US4437875,1984,A,

[3]Patent:US4437876,1984,A,

[4]Patent:US4199506,1980,A,

72850-53-4    72850-52-3 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofFluorineChemistry,2006,vol.127,#6,p.796-799

344-72-9    72850-52-3 

[1]JournalofHeterocyclicChemistry,2017,vol.54,#6,p.3395-3402

372-29-2    72850-52-3 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

Downstream Synthesis Route
72850-53-4    72850-52-3 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

[2]JournalofFluorineChemistry,2006,vol.127,p.796-799

75-08-1    72850-52-3    106203-23-0 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

108-95-2    72850-52-3    72850-81-8 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

141-52-6    72850-52-3    72860-49-2 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

141-52-6    72850-52-3    72850-82-9 

[1]JournalofHeterocyclicChemistry,1985,vol.22,p.1621-1630

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