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55805-20-4,MFCD17480442
Catalog No.:AA00DKRE

55805-20-4 | 3-(Difluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$21.00   $15.00
- +
250mg
95%
in stock  
$30.00   $21.00
- +
1g
95%
in stock  
$78.00   $54.00
- +
5g
95%
in stock  
$385.00   $270.00
- +
25g
98%
in stock  
$1,567.00 $1,097.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DKRE
Chemical Name:
3-(Difluoromethyl)benzoic acid
CAS Number:
55805-20-4
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD17480442
SMILES:
FC(c1cccc(c1)C(=O)O)F
Properties
Computed Properties
 
Complexity:
170  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED-EP2927218,2015,A1Locationinpatent:Paragraph0862

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

859154-16-8    55805-20-4   
C24H22ClF2N7O 

[1]CurrentPatentAssignee:PFIZERINC-US2005/154024,2005,A1Locationinpatent:Page/Pagecolumn61-62

[1]CurrentPatentAssignee:PFIZERINC-US2007/219186,2007,A1Locationinpatent:Page/Pagecolumn50

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/180612,2015,A1Locationinpatent:Page/Pagecolumn77;78

55805-20-4   
5-(5-amino-2-methylphenyl)-1-methyl-3-morpholinopyridin-2(1H)-one 
 
3-(difluoromethyl)-N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)benzamide 

[1]CurrentPatentAssignee:NOVARTISAG;Barsanti,PaulA.;Burger,Matthew;Lou,Yan;Nishiguchi,Gisele;Polyakov,Valery;Ramurthy,Savithri;Rico,Alice;Setti,Lina;Smith,Aaron;Taft,Benjamin;Tanner,Huw;DiPesa,Alan;Yusuff,Naeem-US2014/275003,2014,A1Locationinpatent:Paragraph0650;0651;0652

Literature
Quotation Request
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SDS
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Tags:55805-20-4 Molecular Formula|55805-20-4 MDL|55805-20-4 SMILES|55805-20-4 3-(Difluoromethyl)benzoic acid
Catalog No.: AA00DKRE
55805-20-4,MFCD17480442
55805-20-4 | 3-(Difluoromethyl)benzoic acid
Pack Size： 100mg
Purity： 95%
in stock
$21.00 $15.00
Pack Size： 250mg
Purity： 95%
in stock
$30.00 $21.00
Pack Size： 1g
Purity： 95%
in stock
$78.00 $54.00
Pack Size： 5g
Purity： 95%
in stock
$385.00 $270.00
Pack Size： 25g
Purity： 98%
in stock
$1,567.00 $1,097.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DKRE
Chemical Name: 3-(Difluoromethyl)benzoic acid
CAS Number: 55805-20-4
Molecular Formula: C8H6F2O2
Molecular Weight: 172.1288
MDL Number: MFCD17480442
SMILES: FC(c1cccc(c1)C(=O)O)F
Properties
Complexity: 170  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
55805-13-5    55805-20-4 

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

[2]CurrentPatentAssignee:SumitomoChemical(w/oDongwooFine-Chem);SUMITOMOCHEMICALCOMPANYLIMITED-EP2927218,2015,A1Locationinpatent:Paragraph0862

24964-64-5    55805-20-4 

[1]Mathey,F.;Bensoam,J.[Tetrahedron,1975,vol.31,p.391-401]

859154-16-8    55805-20-4   
C24H22ClF2N7O 

[1]CurrentPatentAssignee:PFIZERINC-US2005/154024,2005,A1Locationinpatent:Page/Pagecolumn61-62

55805-20-4    1056638-82-4 

[1]CurrentPatentAssignee:PFIZERINC-US2007/219186,2007,A1Locationinpatent:Page/Pagecolumn50

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/180612,2015,A1Locationinpatent:Page/Pagecolumn77;78

55805-20-4   
5-(5-amino-2-methylphenyl)-1-methyl-3-morpholinopyridin-2(1H)-one 
 
3-(difluoromethyl)-N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)benzamide 

[1]CurrentPatentAssignee:NOVARTISAG;Barsanti,PaulA.;Burger,Matthew;Lou,Yan;Nishiguchi,Gisele;Polyakov,Valery;Ramurthy,Savithri;Rico,Alice;Setti,Lina;Smith,Aaron;Taft,Benjamin;Tanner,Huw;DiPesa,Alan;Yusuff,Naeem-US2014/275003,2014,A1Locationinpatent:Paragraph0650;0651;0652

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