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473-27-8,MFCD00182685
Catalog No.:AA003K9A

473-27-8 | 4-(Trifluoromethylsulfonyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$25.00   $18.00
- +
1g
95%
in stock  
$45.00   $32.00
- +
5g
95%
in stock  
$178.00   $125.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003K9A
Chemical Name:
4-(Trifluoromethylsulfonyl)aniline
CAS Number:
473-27-8
Molecular Formula:
C7H6F3NO2S
Molecular Weight:
225.1882
MDL Number:
MFCD00182685
SMILES:
FC(S(=O)(=O)c1ccc(cc1)N)(F)F
Properties
Properties
 
BP:
317.8°C at 760 mmHg  
Form:
Solid  
MP:
96 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
285  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
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  

Downstream Synthesis Route
464213-92-1    473-27-8    37091-73-9   
N-4-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

464213-93-2    473-27-8    37091-73-9   
N-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

464213-95-4    473-27-8    37091-73-9   
N-3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

[1]CurrentPatentAssignee:SANOFI-US2009/82329,2009,A1Locationinpatent:Page/Pagecolumn18

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:473-27-8 Molecular Formula|473-27-8 MDL|473-27-8 SMILES|473-27-8 4-(Trifluoromethylsulfonyl)aniline
Catalog No.: AA003K9A
473-27-8,MFCD00182685
473-27-8 | 4-(Trifluoromethylsulfonyl)aniline
Pack Size： 250mg
Purity： 95%
in stock
$25.00 $18.00
Pack Size： 1g
Purity： 95%
in stock
$45.00 $32.00
Pack Size： 5g
Purity： 95%
in stock
$178.00 $125.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003K9A
Chemical Name: 4-(Trifluoromethylsulfonyl)aniline
CAS Number: 473-27-8
Molecular Formula: C7H6F3NO2S
Molecular Weight: 225.1882
MDL Number: MFCD00182685
SMILES: FC(S(=O)(=O)c1ccc(cc1)N)(F)F
Properties
BP: 317.8°C at 760 mmHg  
Form: Solid  
MP: 96 °C(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 285  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
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  
Downstream Synthesis Route
464213-92-1    473-27-8    37091-73-9   
N-4-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

464213-93-2    473-27-8    37091-73-9   
N-5-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

464213-95-4    473-27-8    37091-73-9   
N-3-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-yl)methyl-2-acetoxybenzoyl-4-(trifluoromethylsulfonyl)aniline 

[1]Patent:EP1314712,2003,A1

13257-67-5    473-27-8    503-38-8    945257-72-7 

[1]CurrentPatentAssignee:SANOFI-US2009/82329,2009,A1Locationinpatent:Page/Pagecolumn18

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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