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55896-93-0,MFCD08458866
Catalog No.:AA003PZ1

55896-93-0 | Chlorosulfonyl acetic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$12.00   $8.00
- +
1g
95%
in stock  
$28.00   $19.00
- +
5g
95%
in stock  
$95.00   $66.00
- +
10g
95%
in stock  
$170.00   $119.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003PZ1
Chemical Name:
Chlorosulfonyl acetic acid ethyl ester
CAS Number:
55896-93-0
Molecular Formula:
C4H7ClO4S
Molecular Weight:
186.6140
MDL Number:
MFCD08458866
SMILES:
CCOC(=O)CS(=O)(=O)Cl
Properties
Properties
 
BP:
117-118 °C(lit.)  
Form:
Liquid  
MP:
16.2 °C(lit.)  
Refractive Index:
n20/D 1.371(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
202  
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:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2009/269305,2009,A1

[2]Vieillefosse[BulletindelaSocieteChimiquedeFrance,1939,vol.<5>6,p.35][BulletindelaSocieteChimiquedeFrance,1947,p.353,354]

[3]Lee;Roark;Picard;Sliskovic;Roth;Stanfield;Hamelehle;Bousley;Krause[BioorganicandMedicinalChemistryLetters,1998,vol.8,#3,p.289-294]

[4]CurrentPatentAssignee:PFIZERINC-US5491170,1996,A

[5]CurrentPatentAssignee:PFIZERINC-US5510379,1996,A

[1]EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106

[1]Bianchi,M.etal.[EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106]

[1]EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106

[1]Dar'in,Dmitry;Kantin,Grigory;Kalinin,Stanislav;Sharonova,Tatiana;Bunev,Alexander;Ostapenko,GennadyI.;Nocentini,Alessio;Sharoyko,Vladimir;Supuran,ClaudiuT.;Krasavin,Mikhail[EuropeanJournalofMedicinalChemistry,2021,vol.222]

[2]CurrentPatentAssignee:ARDELYX,INC.-WO2018/39386,2018,A1Locationinpatent:Page/Pagecolumn349;350

[3]LeBerre,A.etal.[BulletindelaSocieteChimiquedeFrance,1975,p.807-811]

[4]Gilmore;Lin[JournalofOrganicChemistry,1978,vol.43,#23,p.4535-4537]

[5]Britcher,SusanF.;Cochran,DavidW.;Phillips,BrianT.;Springer,JamesP.;Lumma,WilliamC.[JournalofOrganicChemistry,1983,vol.48,#6,p.763-767]

Literature
Quotation Request
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SDS
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Tags:55896-93-0 Molecular Formula|55896-93-0 MDL|55896-93-0 SMILES|55896-93-0 Chlorosulfonyl acetic acid ethyl ester
Catalog No.: AA003PZ1
55896-93-0,MFCD08458866
55896-93-0 | Chlorosulfonyl acetic acid ethyl ester
Pack Size： 250mg
Purity： 95%
in stock
$12.00 $8.00
Pack Size： 1g
Purity： 95%
in stock
$28.00 $19.00
Pack Size： 5g
Purity： 95%
in stock
$95.00 $66.00
Pack Size： 10g
Purity： 95%
in stock
$170.00 $119.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003PZ1
Chemical Name: Chlorosulfonyl acetic acid ethyl ester
CAS Number: 55896-93-0
Molecular Formula: C4H7ClO4S
Molecular Weight: 186.6140
MDL Number: MFCD08458866
SMILES: CCOC(=O)CS(=O)(=O)Cl
Properties
BP: 117-118 °C(lit.)  
Form: Liquid  
MP: 16.2 °C(lit.)  
Refractive Index: n20/D 1.371(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 202  
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: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
89124-45-8    55896-93-0 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2009/269305,2009,A1

[2]Vieillefosse[BulletindelaSocieteChimiquedeFrance,1939,vol.<5>6,p.35][BulletindelaSocieteChimiquedeFrance,1947,p.353,354]

[3]Lee;Roark;Picard;Sliskovic;Roth;Stanfield;Hamelehle;Bousley;Krause[BioorganicandMedicinalChemistryLetters,1998,vol.8,#3,p.289-294]

[4]CurrentPatentAssignee:PFIZERINC-US5491170,1996,A

[5]CurrentPatentAssignee:PFIZERINC-US5510379,1996,A

55896-93-0    15950-17-1    61154-66-3 

[1]EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106

55896-93-0    3360-79-0    61154-57-2 

[1]Bianchi,M.etal.[EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106]

55896-93-0    25781-92-4    61154-60-7 

[1]EuropeanJournalofMedicinalChemistry,1976,vol.11,p.101-106

55896-93-0    55897-04-6 

[1]Dar'in,Dmitry;Kantin,Grigory;Kalinin,Stanislav;Sharonova,Tatiana;Bunev,Alexander;Ostapenko,GennadyI.;Nocentini,Alessio;Sharoyko,Vladimir;Supuran,ClaudiuT.;Krasavin,Mikhail[EuropeanJournalofMedicinalChemistry,2021,vol.222]

[2]CurrentPatentAssignee:ARDELYX,INC.-WO2018/39386,2018,A1Locationinpatent:Page/Pagecolumn349;350

[3]LeBerre,A.etal.[BulletindelaSocieteChimiquedeFrance,1975,p.807-811]

[4]Gilmore;Lin[JournalofOrganicChemistry,1978,vol.43,#23,p.4535-4537]

[5]Britcher,SusanF.;Cochran,DavidW.;Phillips,BrianT.;Springer,JamesP.;Lumma,WilliamC.[JournalofOrganicChemistry,1983,vol.48,#6,p.763-767]

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