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444-46-2,MFCD12143771
Catalog No.:AA01A1LR

444-46-2 | 4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
2 weeks  
$143.00   $100.00
- +
250mg
98%
2 weeks  
$198.00   $139.00
- +
1g
98%
2 weeks  
$460.00   $322.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01A1LR
Chemical Name:
4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number:
444-46-2
Molecular Formula:
C7H3ClF3NO4S
Molecular Weight:
289.6162
MDL Number:
MFCD12143771
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)Cl
Properties
Computed Properties
 
Complexity:
399  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2012,vol.55,p.1021-1046

[2]Patent:WO2011/60321,2011,A1.Locationinpatent:Page/Pagecolumn121-122

[3]JournalofMedicinalChemistry,1996,vol.39,p.904-917

glacialHOAc 
 
conc.NH4OHaq 
  121-01-7    444-46-2    393-04-4 

[1]Patent:EP365763,1990,A1

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:444-46-2 Molecular Formula|444-46-2 MDL|444-46-2 SMILES|444-46-2 4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
Catalog No.: AA01A1LR
444-46-2,MFCD12143771
444-46-2 | 4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
Pack Size： 100mg
Purity： 98%
2 weeks
$143.00 $100.00
Pack Size： 250mg
Purity： 98%
2 weeks
$198.00 $139.00
Pack Size： 1g
Purity： 98%
2 weeks
$460.00 $322.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01A1LR
Chemical Name: 4-nitro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number: 444-46-2
Molecular Formula: C7H3ClF3NO4S
Molecular Weight: 289.6162
MDL Number: MFCD12143771
SMILES: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)Cl
Properties
Complexity: 399  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
121-01-7    444-46-2 

[1]JournalofMedicinalChemistry,2012,vol.55,p.1021-1046

[2]Patent:WO2011/60321,2011,A1.Locationinpatent:Page/Pagecolumn121-122

[3]JournalofMedicinalChemistry,1996,vol.39,p.904-917

glacialHOAc 
 
conc.NH4OHaq 
  121-01-7    444-46-2    393-04-4 

[1]Patent:EP365763,1990,A1

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