198205-79-7,MFCD00495526
Catalog No.:AA002BA3

198205-79-7 | 4-(2-Trifluoromethylphenyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$59.00   $42.00
- +
5g
98%
in stock  
$250.00 $175.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002BA3
Chemical Name:
4-(2-Trifluoromethylphenyl)benzoic acid
CAS Number:
198205-79-7
Molecular Formula:
C14H9F3O2
Molecular Weight:
266.2153
MDL Number:
MFCD00495526
SMILES:
OC(=O)c1ccc(cc1)c1ccccc1C(F)(F)F
Properties
Properties
 
BP:
380.8°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Upstream Synthesis Route

[1]Patent:WO2010/42998,2010,A1,.Locationinpatent:Page/Pagecolumn95

[2]Patent:WO2005/97740,2005,A1,.Locationinpatent:Page/Pagecolumn28-29

[3]Patent:US2010/48580,2010,A1,.Locationinpatent:Page/Pagecolumn11

[1]Patent:WO2004/60882,2004,A1,.Locationinpatent:Page56-57

Literature
Quotation Request
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Additional Info:
SDS
Tags:198205-79-7 Molecular Formula|198205-79-7 MDL|198205-79-7 SMILES|198205-79-7 4-(2-Trifluoromethylphenyl)benzoic acid
Catalog No.: AA002BA3
198205-79-7,MFCD00495526
198205-79-7 | 4-(2-Trifluoromethylphenyl)benzoic acid
Pack Size: 1g
Purity: 98%
in stock
$59.00 $42.00
Pack Size: 5g
Purity: 98%
in stock
$250.00 $175.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002BA3
Chemical Name: 4-(2-Trifluoromethylphenyl)benzoic acid
CAS Number: 198205-79-7
Molecular Formula: C14H9F3O2
Molecular Weight: 266.2153
MDL Number: MFCD00495526
SMILES: OC(=O)c1ccc(cc1)c1ccccc1C(F)(F)F
Properties
BP: 380.8°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 319  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Upstream Synthesis Route
198205-95-7    198205-79-7 

[1]Patent:WO2010/42998,2010,A1,.Locationinpatent:Page/Pagecolumn95

[2]Patent:WO2005/97740,2005,A1,.Locationinpatent:Page/Pagecolumn28-29

[3]Patent:US2010/48580,2010,A1,.Locationinpatent:Page/Pagecolumn11

513-35-9    198205-95-7    198205-79-7 

[1]Patent:WO2004/60882,2004,A1,.Locationinpatent:Page56-57

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