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654-98-8,MFCD01631353
Catalog No.:AA003MJA

654-98-8 | 5-Chloro-2-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$21.00   $15.00
- +
5g
97%
in stock  
$31.00   $22.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003MJA
Chemical Name:
5-Chloro-2-(trifluoromethyl)benzoic acid
CAS Number:
654-98-8
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD01631353
SMILES:
Clc1ccc(c(c1)C(=O)O)C(F)(F)F
Properties
Properties
 
BP:
272.2°C at 760 mmHg  
Form:
Solid  
MP:
84-87°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

[2]Patent:US2014/371067,2014,A1.Locationinpatent:Paragraph0136

[3]Patent:WO2015/109109,2015,A1.Locationinpatent:Paragraph0534

654-98-8   
4-chloro-3-hydroxy-7-trifluoromethyl-3<i>H</i>-isobenzofuran-1-one 

[1]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

654-98-8   
5-chloro-<i>N</i>,<i>N</i>-diethyl-2-trifluoromethyl-benzamide 

[1]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

654-98-8   
3-chloro-<i>N</i>,<i>N</i>-diethyl-2-formyl-6-trifluoromethyl-benzamide 

[1]JournalofMedicinalChemistry,2007,vol.50,p.1365-1379

Literature
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SDS
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