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94022-99-8,MFCD06823965
Catalog No.:AA0033HH

94022-99-8 | 3-[2-(Trifluoromethyl)phenyl]propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$29.00   $20.00
- +
10g
95%
in stock  
$35.00   $25.00
- +
25g
95%
in stock  
$85.00   $60.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033HH
Chemical Name:
3-[2-(Trifluoromethyl)phenyl]propanoic acid
CAS Number:
94022-99-8
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD06823965
SMILES:
OC(=O)CCc1ccccc1C(F)(F)F
Properties
Properties
 
BP:
266.9 °C at 760 mmHg  
Form:
Solid  
MP:
84-88 °C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Upstream Synthesis Route

[1]Patent:US2003/55093,2003,A1,

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,#14,p.1519-1522

[2]Patent:EP2168944,2010,A1,.Locationinpatent:Page/Pagecolumn68

[1]Tetrahedron,2004,vol.60,#50,p.11533-11540

[1]OrganicLetters,2017,vol.19,#7,p.1748-1751

Downstream Synthesis Route
94022-99-8    18107-18-1   
3-(2-trifluoromethyl-phenyl)-propionicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.1519-1522

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.1519-1522

[2]Patent:EP2168944,2010,A1.Locationinpatent:Page/Pagecolumn68

[1]Pharmazie,2004,vol.59,p.744-752

[2]JournaloftheAmericanChemicalSociety,2013,vol.135,p.18056-18059

[3]Patent:CN109422749,2019,A.Locationinpatent:Paragraph0452;0457

[1]Tetrahedron,2004,vol.60,p.11533-11540

[1]Pharmazie,2004,vol.59,p.744-752

Literature
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SDS
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