845866-80-0,MFCD06248898
Catalog No.:AA0033EM

845866-80-0 | 3,3,3-Trifluoropropane-1-sulfonyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$17.00   $12.00
- +
250mg
95%
in stock  
$22.00   $16.00
- +
1g
95%
in stock  
$51.00   $36.00
- +
5g
95%
in stock  
$179.00   $125.00
- +
25g
95%
in stock  
$869.00 $608.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033EM
Chemical Name:
3,3,3-Trifluoropropane-1-sulfonyl chloride
CAS Number:
845866-80-0
Molecular Formula:
C3H4ClF3O2S
Molecular Weight:
196.5759
MDL Number:
MFCD06248898
SMILES:
FC(CCS(=O)(=O)Cl)(F)F
Properties
Properties
 
BP:
169.9°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.3996  
Stability:
Air & Moisture Sensitive  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Patent:WO2011/59610,2011,A1.Locationinpatent:Page/Pagecolumn134

[1]Patent:WO2011/59610,2011,A1.Locationinpatent:Page/Pagecolumn135

845866-80-0    177906-48-8   
tert-butyl((1,4-trans)-4-(3,3,3-trifluoropropylsulfonamido)cyclohexyl)carbamate 

[1]Patent:WO2016/116563,2016,A1.Locationinpatent:Page/Pagecolumn35

[2]JournalofMedicinalChemistry,2019,vol.62,p.1180-1202

845866-80-0    1314910-43-4   
2-(1-((3,3,3-trifluoropropyl)sulfonyl)azetidin-3-ylidene)acetonitrile 

[1]Patent:EP3360878,2018,A1.Locationinpatent:Paragraph0234;0236;0308;0310

845866-80-0    657-24-9   
N-(3,3,3-trifluoropropylsulfonyl)metformin 

[1]Patent:CN109928897,2019,A.Locationinpatent:Paragraph0044;0056-0060

[2]EuropeanJournalofMedicinalChemistry,2020,vol.200

Literature
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SDS
Tags:845866-80-0 Molecular Formula|845866-80-0 MDL|845866-80-0 SMILES|845866-80-0 3,3,3-Trifluoropropane-1-sulfonyl chloride
Catalog No.: AA0033EM
845866-80-0,MFCD06248898
845866-80-0 | 3,3,3-Trifluoropropane-1-sulfonyl chloride
Pack Size: 100mg
Purity: 95%
in stock
$17.00 $12.00
Pack Size: 250mg
Purity: 95%
in stock
$22.00 $16.00
Pack Size: 1g
Purity: 95%
in stock
$51.00 $36.00
Pack Size: 5g
Purity: 95%
in stock
$179.00 $125.00
Pack Size: 25g
Purity: 95%
in stock
$869.00 $608.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0033EM
Chemical Name: 3,3,3-Trifluoropropane-1-sulfonyl chloride
CAS Number: 845866-80-0
Molecular Formula: C3H4ClF3O2S
Molecular Weight: 196.5759
MDL Number: MFCD06248898
SMILES: FC(CCS(=O)(=O)Cl)(F)F
Properties
BP: 169.9°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.3996  
Stability: Air & Moisture Sensitive  
Storage: Inert atmosphere;2-8℃;  
Complexity: 189  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
845866-80-0    120100-15-4    1307272-31-6 

[1]Patent:WO2011/59610,2011,A1.Locationinpatent:Page/Pagecolumn134

845866-80-0    1195768-18-3    1307272-33-8 

[1]Patent:WO2011/59610,2011,A1.Locationinpatent:Page/Pagecolumn135

845866-80-0    177906-48-8   
tert-butyl((1,4-trans)-4-(3,3,3-trifluoropropylsulfonamido)cyclohexyl)carbamate 

[1]Patent:WO2016/116563,2016,A1.Locationinpatent:Page/Pagecolumn35

[2]JournalofMedicinalChemistry,2019,vol.62,p.1180-1202

845866-80-0    1314910-43-4   
2-(1-((3,3,3-trifluoropropyl)sulfonyl)azetidin-3-ylidene)acetonitrile 

[1]Patent:EP3360878,2018,A1.Locationinpatent:Paragraph0234;0236;0308;0310

845866-80-0    657-24-9   
N-(3,3,3-trifluoropropylsulfonyl)metformin 

[1]Patent:CN109928897,2019,A.Locationinpatent:Paragraph0044;0056-0060

[2]EuropeanJournalofMedicinalChemistry,2020,vol.200

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