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1017779-69-9,MFCD09832383
Catalog No.:AA0005EI

1017779-69-9 | 3-Fluoro-4-(trifluoromethoxy)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$6.00   $4.00
- +
250mg
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$45.00   $32.00
- +
25g
97%
in stock  
$212.00   $149.00
- +
100g
97%
in stock  
$846.00   $593.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0005EI
Chemical Name:
3-Fluoro-4-(trifluoromethoxy)aniline
CAS Number:
1017779-69-9
Molecular Formula:
C7H5F4NO
Molecular Weight:
195.1143
MDL Number:
MFCD09832383
SMILES:
Nc1ccc(c(c1)F)OC(F)(F)F
Properties
Properties
 
Form:
Liquid  
Refractive Index:
1.4505  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,p.3047-3055

1017779-69-9   
2-bromo-3-fluoro-4-trifluoromethoxyaniline 

[1]Patent:WO2015/84842,2015,A1

1017779-69-9   
2,6-dibromo-3-fluoro-4-trifluoromethoxyaniline 

[1]Patent:WO2015/84842,2015,A1.Locationinpatent:Paragraph0094

1017779-69-9   
1-(6-chloropyrazin-2-yl)-5,6-difluoro-2-methyl-1H-benzodimidazole 
 
6-(5,6-difluoro-2-methyl-1H-benzimidazol-1-yl)-N-3-fluoro-4-(trifluoromethoxy)phenylpyrazin-2-amine 

[1]Patent:WO2015/76800,2015,A1.Locationinpatent:Page/Pagecolumn373

32315-10-9    1017779-69-9    87120-72-7   
tert-butyl4-(3-(3-fluoro-4-(trifluoromethoxy)phenyl)ureido)piperidine-1-carboxylate 
 
C15H8F8N2O3 

[1]Patent:WO2015/148954,2015,A1.Locationinpatent:Paragraph0201;0202;0203

Literature
Quotation Request
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SDS
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Tags:1017779-69-9 Molecular Formula|1017779-69-9 MDL|1017779-69-9 SMILES|1017779-69-9 3-Fluoro-4-(trifluoromethoxy)aniline
Catalog No.: AA0005EI
1017779-69-9,MFCD09832383
1017779-69-9 | 3-Fluoro-4-(trifluoromethoxy)aniline
Pack Size： 100mg
Purity： 97%
in stock
$6.00 $4.00
Pack Size： 250mg
Purity： 97%
in stock
$7.00 $5.00
Pack Size： 5g
Purity： 97%
in stock
$45.00 $32.00
Pack Size： 25g
Purity： 97%
in stock
$212.00 $149.00
Pack Size： 100g
Purity： 97%
in stock
$846.00 $593.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0005EI
Chemical Name: 3-Fluoro-4-(trifluoromethoxy)aniline
CAS Number: 1017779-69-9
Molecular Formula: C7H5F4NO
Molecular Weight: 195.1143
MDL Number: MFCD09832383
SMILES: Nc1ccc(c(c1)F)OC(F)(F)F
Properties
Form: Liquid  
Refractive Index: 1.4505  
Storage: Inert atmosphere;2-8℃;  
Complexity: 172  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
1017779-69-9    1234502-34-1 

[1]EuropeanJournalofMedicinalChemistry,2010,vol.45,p.3047-3055

1017779-69-9   
2-bromo-3-fluoro-4-trifluoromethoxyaniline 

[1]Patent:WO2015/84842,2015,A1

1017779-69-9   
2,6-dibromo-3-fluoro-4-trifluoromethoxyaniline 

[1]Patent:WO2015/84842,2015,A1.Locationinpatent:Paragraph0094

1017779-69-9   
1-(6-chloropyrazin-2-yl)-5,6-difluoro-2-methyl-1H-benzodimidazole 
 
6-(5,6-difluoro-2-methyl-1H-benzimidazol-1-yl)-N-3-fluoro-4-(trifluoromethoxy)phenylpyrazin-2-amine 

[1]Patent:WO2015/76800,2015,A1.Locationinpatent:Page/Pagecolumn373

32315-10-9    1017779-69-9    87120-72-7   
tert-butyl4-(3-(3-fluoro-4-(trifluoromethoxy)phenyl)ureido)piperidine-1-carboxylate 
 
C15H8F8N2O3 

[1]Patent:WO2015/148954,2015,A1.Locationinpatent:Paragraph0201;0202;0203

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