Home Fluorides 58808-59-6
58808-59-6,MFCD00052340
Catalog No.:AA003JVP

58808-59-6 | 4-(Trifluoroacetyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$65.00   $45.00
- +
1g
98%
in stock  
$70.00   $49.00
- +
5g
98%
in stock  
$175.00   $123.00
- +
10g
98%
in stock  
$336.00   $235.00
- +
25g
98%
in stock  
$687.00   $481.00
- +
100g
98%
in stock  
$2,142.00   $1,499.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JVP
Chemical Name:
4-(Trifluoroacetyl)benzoic acid
CAS Number:
58808-59-6
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
MDL Number:
MFCD00052340
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
178 °C  
Stability:
Hygroscopic  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2013,vol.56,p.2218-2234

Literature

Title: Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

Journal: Journal of medicinal chemistry 20040506

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SDS
Tags:58808-59-6 Molecular Formula|58808-59-6 MDL|58808-59-6 SMILES|58808-59-6 4-(Trifluoroacetyl)benzoic acid |Halogenated_Heterocycles