2822-50-6,MFCD03840207
Catalog No.:AA0037MW

2822-50-6 | 3-Nitro-4-(trifluoromethoxy)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%forsynthesis
in stock  
$18.00   $13.00
- +
5g
95%forsynthesis
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$59.00   $42.00
- +
100g
98%
in stock  
$202.00 $142.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0037MW
Chemical Name:
3-Nitro-4-(trifluoromethoxy)aniline
CAS Number:
2822-50-6
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
MDL Number:
MFCD03840207
SMILES:
Nc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F
Properties
Properties
 
BP:
300.09 °C at 760 mmHg  
Form:
Solid  
Refractive Index:
1.525  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/42699,2010,A1Locationinpatent:Page/Pagecolumn83

58757-38-3    2822-50-6   
6-chloro-N-3-nitro-4-(trifluoromethoxy)phenylnicotinamide 

[1]CurrentPatentAssignee:BAYERAG-WO2014/147021,2014,A2Locationinpatent:Page/Pagecolumn142;143

10058-38-5    2822-50-6   
N-3-nitro-4-(trifluoromethoxy)phenyl-2-phenyl-1,3-thiazole-5-carboxamide 

[1]Patent:WO2014/147021,2014,A2.Locationinpatent:Page/Pagecolumn167

1416013-62-1    2822-50-6   
2-amino-4-bromo-3-fluoro-N-(3-nitro-4-(trifluoromethoxy)phenyl)benzamide 

[1]Patent:WO2019/63704,2019,A1.Locationinpatent:Page/Pagecolumn91;92

[2]Patent:WO2019/63708,2019,A1.Locationinpatent:Page/Pagecolumn89

1374208-42-0    2822-50-6   
2-amino-4-bromo-5-fluoro-N-3-nitro-4-(trifluoromethoxy)phenylbenzamide 

[1]Patent:WO2019/63704,2019,A1.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2019/63708,2019,A1.Locationinpatent:Page/Pagecolumn95

Literature
Quotation Request
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SDS
Tags:2822-50-6 Molecular Formula|2822-50-6 MDL|2822-50-6 SMILES|2822-50-6 3-Nitro-4-(trifluoromethoxy)aniline
Catalog No.: AA0037MW
2822-50-6,MFCD03840207
2822-50-6 | 3-Nitro-4-(trifluoromethoxy)aniline
Pack Size: 1g
Purity: 95%forsynthesis
in stock
$18.00 $13.00
Pack Size: 5g
Purity: 95%forsynthesis
in stock
$24.00 $17.00
Pack Size: 25g
Purity: 98%
in stock
$59.00 $42.00
Pack Size: 100g
Purity: 98%
in stock
$202.00 $142.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0037MW
Chemical Name: 3-Nitro-4-(trifluoromethoxy)aniline
CAS Number: 2822-50-6
Molecular Formula: C7H5F3N2O3
Molecular Weight: 222.1214
MDL Number: MFCD03840207
SMILES: Nc1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F
Properties
BP: 300.09 °C at 760 mmHg  
Form: Solid  
Refractive Index: 1.525  
Storage: Keep in dry area;2-8℃;  
Complexity: 241  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
2822-50-6    873055-90-4 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/42699,2010,A1Locationinpatent:Page/Pagecolumn83

58757-38-3    2822-50-6   
6-chloro-N-3-nitro-4-(trifluoromethoxy)phenylnicotinamide 

[1]CurrentPatentAssignee:BAYERAG-WO2014/147021,2014,A2Locationinpatent:Page/Pagecolumn142;143

10058-38-5    2822-50-6   
N-3-nitro-4-(trifluoromethoxy)phenyl-2-phenyl-1,3-thiazole-5-carboxamide 

[1]Patent:WO2014/147021,2014,A2.Locationinpatent:Page/Pagecolumn167

1416013-62-1    2822-50-6   
2-amino-4-bromo-3-fluoro-N-(3-nitro-4-(trifluoromethoxy)phenyl)benzamide 

[1]Patent:WO2019/63704,2019,A1.Locationinpatent:Page/Pagecolumn91;92

[2]Patent:WO2019/63708,2019,A1.Locationinpatent:Page/Pagecolumn89

1374208-42-0    2822-50-6   
2-amino-4-bromo-5-fluoro-N-3-nitro-4-(trifluoromethoxy)phenylbenzamide 

[1]Patent:WO2019/63704,2019,A1.Locationinpatent:Page/Pagecolumn102

[2]Patent:WO2019/63708,2019,A1.Locationinpatent:Page/Pagecolumn95

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