Home Fluorides 942077-16-9
942077-16-9,MFCD16610738
Catalog No.:AA003J9A

942077-16-9 | 3-Cyano-5-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$15.00   $11.00
- +
250mg
95%
in stock  
$18.00   $13.00
- +
1g
95%
in stock  
$71.00   $50.00
- +
5g
95%
in stock  
$350.00   $245.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003J9A
Chemical Name:
3-Cyano-5-(trifluoromethyl)benzoic acid
CAS Number:
942077-16-9
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
MDL Number:
MFCD16610738
SMILES:
N#Cc1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
304  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Patent:US2009/62306,2009,A1.Locationinpatent:Page/Pagecolumn32

[2]Patent:US2009/82352,2009,A1.Locationinpatent:Page/Pagecolumn28

[1]Patent:US2009/62306,2009,A1.Locationinpatent:Page/Pagecolumn32

[2]Patent:US2009/82352,2009,A1.Locationinpatent:Page/Pagecolumn28

copper(l)cyanide 
  328-67-6    942077-16-9 

[1]Patent:WO2012/99807,2012,A1.Locationinpatent:Page/Pagecolumn113

[1]Patent:WO2012/99807,2012,A1

[1]Patent:WO2012/99807,2012,A1

Literature
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SDS
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Tags:942077-16-9 Molecular Formula|942077-16-9 MDL|942077-16-9 SMILES|942077-16-9 3-Cyano-5-(trifluoromethyl)benzoic acid |Fluorinated_Building_Blocks