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Home Fluorides 454-92-2
454-92-2,MFCD00002519
Catalog No.:AA0033EI

454-92-2 | 3-(Trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
- +
100g
98%
in stock  
$56.00   $39.00
- +
500g
98%
in stock  
$84.00   $59.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0033EI
Chemical Name:
3-(Trifluoromethyl)benzoic acid
CAS Number:
454-92-2
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00002519
SMILES:
OC(=O)c1cccc(c1)C(F)(F)F
NSC Number:
43025
Properties
Properties
 
BP:
237.7°C at 760 mmHg  
Form:
Solid  
MP:
104-106 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3  

Literature

Title: 2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: 2-(4-Chloro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Insulin allosteric behavior: detection, identification, and quantification of allosteric states via 19F NMR.

Journal: Biochemistry 20050531

Title: Polymeric drugs with prolonged sustained delivery of specific anti-aggregant agents for platelets: kinetic analysis of the release mechanism.

Journal: Journal of biomaterials science. Polymer edition 20040101

Title: Photoinduced electron transfer and chemical alpha-deoxygenation of D-galactono-1,4-lactone. Synthesis of 2-deoxy-D-lyxo-hexofuranosides.

Journal: Carbohydrate research 20021119

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SDS
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Tags:454-92-2 Molecular Formula|454-92-2 MDL|454-92-2 SMILES|454-92-2 3-(Trifluoromethyl)benzoic acid |Fluorinated_Building_Blocks