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177952-39-5,MFCD00042492
Catalog No.:AA0025KS

177952-39-5 | 2,4-Bis(trifluoromethyl)phenylacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$13.00   $9.00
- +
250mg
97%
in stock  
$22.00   $16.00
- +
1g
96%
in stock  
$58.00   $40.00
- +
5g
97%
in stock  
$109.00   $76.00
- +
100g
96%
in stock  
$1,567.00 $1,097.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0025KS
Chemical Name:
2,4-Bis(trifluoromethyl)phenylacetic acid
CAS Number:
177952-39-5
Molecular Formula:
C10H6F6O2
Molecular Weight:
272.1439
MDL Number:
MFCD00042492
SMILES:
OC(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Properties
 
BP:
235°C at 760 mmHg  
Form:
Solid  
MP:
85-90℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
309  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route
177952-39-5    177954-81-3   
(-)-2-2,4-Bis(trifluoromethyl)phenyl-N-3R-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzoe1,4diazepin-3-ylacetamide 

[1]JournalofMedicinalChemistry,1997,vol.40,p.3865-3868

177952-39-5   
(2,4-bis-trifluoromethyl-phenyl)-acetylchloride 

[1]Tetrahedron,1999,vol.55,p.909-918

1-allyl-2,4-bis-trifluoromethyl-benzene 
  177952-39-5 

[1]Tetrahedron,1999,vol.55,p.909-918

177952-39-5    557089-39-1   
2-(2,4-bis-trifluoromethyl-phenyl)-<i>N</i>-(1-<i>sec</i>-butyl-5-cyclopropyl-2-oxo-2,3-dihydro-1<i>H</i>-benzo<i>e</i>1,4diazepin-3-yl)-acetamide 
 
2-(2,4-bis-trifluoromethyl-phenyl)-<i>N</i>-(1-<i>sec</i>-butyl-5-cyclopropyl-2-oxo-2,3-dihydro-1<i>H</i>-benzo<i>e</i>1,4diazepin-3-yl)-acetamide 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1165-1168

177952-39-5   
(-)-2-2,4-Bis(trifluoromethyl)phenyl-N-3R-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzoe1,4diazepin-3-ylacetamide 

[1]Tetrahedron,1999,vol.55,p.909-918

Literature
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SDS
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Tags:177952-39-5 Molecular Formula|177952-39-5 MDL|177952-39-5 SMILES|177952-39-5 2,4-Bis(trifluoromethyl)phenylacetic acid
Catalog No.: AA0025KS
177952-39-5,MFCD00042492
177952-39-5 | 2,4-Bis(trifluoromethyl)phenylacetic acid
Pack Size： 100mg
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 250mg
Purity： 97%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 96%
in stock
$58.00 $40.00
Pack Size： 5g
Purity： 97%
in stock
$109.00 $76.00
Pack Size： 100g
Purity： 96%
in stock
$1,567.00 $1,097.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0025KS
Chemical Name: 2,4-Bis(trifluoromethyl)phenylacetic acid
CAS Number: 177952-39-5
Molecular Formula: C10H6F6O2
Molecular Weight: 272.1439
MDL Number: MFCD00042492
SMILES: OC(=O)Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
BP: 235°C at 760 mmHg  
Form: Solid  
MP: 85-90℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 309  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
177952-39-5    177954-81-3   
(-)-2-2,4-Bis(trifluoromethyl)phenyl-N-3R-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzoe1,4diazepin-3-ylacetamide 

[1]JournalofMedicinalChemistry,1997,vol.40,p.3865-3868

177952-39-5   
(2,4-bis-trifluoromethyl-phenyl)-acetylchloride 

[1]Tetrahedron,1999,vol.55,p.909-918

1-allyl-2,4-bis-trifluoromethyl-benzene 
  177952-39-5 

[1]Tetrahedron,1999,vol.55,p.909-918

177952-39-5    557089-39-1   
2-(2,4-bis-trifluoromethyl-phenyl)-<i>N</i>-(1-<i>sec</i>-butyl-5-cyclopropyl-2-oxo-2,3-dihydro-1<i>H</i>-benzo<i>e</i>1,4diazepin-3-yl)-acetamide 
 
2-(2,4-bis-trifluoromethyl-phenyl)-<i>N</i>-(1-<i>sec</i>-butyl-5-cyclopropyl-2-oxo-2,3-dihydro-1<i>H</i>-benzo<i>e</i>1,4diazepin-3-yl)-acetamide 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1165-1168

177952-39-5   
(-)-2-2,4-Bis(trifluoromethyl)phenyl-N-3R-2,3-dihydro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzoe1,4diazepin-3-ylacetamide 

[1]Tetrahedron,1999,vol.55,p.909-918

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