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76783-59-0,MFCD00013560
Catalog No.:AA003Q3I

76783-59-0 | Ethyl 3-(trifluoromethyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$11.00   $8.00
- +
10g
97%
in stock  
$13.00   $9.00
- +
25g
97%
in stock  
$29.00   $21.00
- +
100g
97%
in stock  
$115.00   $81.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q3I
Chemical Name:
Ethyl 3-(trifluoromethyl)benzoate
CAS Number:
76783-59-0
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD00013560
SMILES:
CCOC(=O)c1cccc(c1)C(F)(F)F
Properties
Properties
 
BP:
100 °C  
Form:
Solid  
Refractive Index:
1.446  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
225  
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:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route

[1]TetrahedronLetters,1991,vol.32,p.4733-4736

[1]JournaloftheChemicalSociety.Chemicalcommunications,1993,p.1359-1361

76783-59-0   
phenylmagnesiumbromide 
  742-91-6 

[1]JournalofOrganicChemistry,1992,vol.57,p.6542-6546

[1]JournalofMedicinalChemistry,1987,vol.30,p.1433-1454

57905-32-5    76783-59-0   
4-Oxo-6-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylicacidethylester 

[1]ChemicalandPharmaceuticalBulletin,1995,vol.43,p.450-460

Literature
Quotation Request
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SDS
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Tags:76783-59-0 Molecular Formula|76783-59-0 MDL|76783-59-0 SMILES|76783-59-0 Ethyl 3-(trifluoromethyl)benzoate
Catalog No.: AA003Q3I
76783-59-0,MFCD00013560
76783-59-0 | Ethyl 3-(trifluoromethyl)benzoate
Pack Size： 1g
Purity： 97%
in stock
$8.00 $6.00
Pack Size： 5g
Purity： 97%
in stock
$11.00 $8.00
Pack Size： 10g
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 25g
Purity： 97%
in stock
$29.00 $21.00
Pack Size： 100g
Purity： 97%
in stock
$115.00 $81.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q3I
Chemical Name: Ethyl 3-(trifluoromethyl)benzoate
CAS Number: 76783-59-0
Molecular Formula: C10H9F3O2
Molecular Weight: 218.1725
MDL Number: MFCD00013560
SMILES: CCOC(=O)c1cccc(c1)C(F)(F)F
Properties
BP: 100 °C  
Form: Solid  
Refractive Index: 1.446  
Storage: Keep in dry area;Room Temperature;  
Complexity: 225  
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: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
64-17-5    201230-82-2    401-81-0    76783-59-0 

[1]TetrahedronLetters,1991,vol.32,p.4733-4736

93-89-0    2966-50-9    76783-59-0    583-02-8    577-62-8 

[1]JournaloftheChemicalSociety.Chemicalcommunications,1993,p.1359-1361

76783-59-0   
phenylmagnesiumbromide 
  742-91-6 

[1]JournalofOrganicChemistry,1992,vol.57,p.6542-6546

88-12-0    76783-59-0    109086-17-1 

[1]JournalofMedicinalChemistry,1987,vol.30,p.1433-1454

57905-32-5    76783-59-0   
4-Oxo-6-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylicacidethylester 

[1]ChemicalandPharmaceuticalBulletin,1995,vol.43,p.450-460

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