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54997-92-1,MFCD00173908
Catalog No.:AA003LQS

54997-92-1 | 4-Butylbenzene-1-sulfonyl chloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$50.00   $35.00
- +
25g
95%
in stock  
$221.00   $155.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LQS
Chemical Name:
4-Butylbenzene-1-sulfonyl chloride
CAS Number:
54997-92-1
Molecular Formula:
C10H13ClO2S
Molecular Weight:
232.7270
MDL Number:
MFCD00173908
SMILES:
CCCCc1ccc(cc1)S(=O)(=O)Cl
Properties
Properties
 
BP:
310.1 °C at 760 mmHg  
Form:
Liquid  
MP:
13-15 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
248  
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:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.400-405

[1]Patent:WO2011/154695,2011,A1.Locationinpatent:Page/Pagecolumn30-31

2243-61-0    54997-92-1   
N,N'-(naphthalene-1,4-diyl)bis(4-butoxybenzenesulfonamide) 

[1]Jiang,Zheng-Yu;Xu,Li-Li;Lu,Meng-Chen;Chen,Zhi-Yun;Yuan,Zhen-Wei;Xu,Xiao-Li;Guo,Xiao-Ke;Zhang,Xiao-Jin;Sun,Hao-Peng;You,Qi-Dong[JournalofMedicinalChemistry,2015,vol.58,#16,p.6410-6421]

29897-82-3    54997-92-1   
1-benzyl-3-((4-butylphenyl)sulfonyl)-1H-pyrrole 

[1]AngewandteChemie-InternationalEdition,2018,vol.57,p.14787-14791    Angew.Chem.,2018,vol.130,p.15003-15007,5

Literature
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SDS
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Tags:54997-92-1 Molecular Formula|54997-92-1 MDL|54997-92-1 SMILES|54997-92-1 4-Butylbenzene-1-sulfonyl chloride
Catalog No.: AA003LQS
54997-92-1,MFCD00173908
54997-92-1 | 4-Butylbenzene-1-sulfonyl chloride
Pack Size： 1g
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 95%
in stock
$50.00 $35.00
Pack Size： 25g
Purity： 95%
in stock
$221.00 $155.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LQS
Chemical Name: 4-Butylbenzene-1-sulfonyl chloride
CAS Number: 54997-92-1
Molecular Formula: C10H13ClO2S
Molecular Weight: 232.7270
MDL Number: MFCD00173908
SMILES: CCCCc1ccc(cc1)S(=O)(=O)Cl
Properties
BP: 310.1 °C at 760 mmHg  
Form: Liquid  
MP: 13-15 °C  
Storage: Inert atmosphere;2-8℃;  
Complexity: 248  
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: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
54997-92-1    264916-06-5    956094-24-9 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.400-405

54997-92-1    26081-03-8    1352144-01-4 

[1]Patent:WO2011/154695,2011,A1.Locationinpatent:Page/Pagecolumn30-31

2243-61-0    54997-92-1   
N,N'-(naphthalene-1,4-diyl)bis(4-butoxybenzenesulfonamide) 

[1]Jiang,Zheng-Yu;Xu,Li-Li;Lu,Meng-Chen;Chen,Zhi-Yun;Yuan,Zhen-Wei;Xu,Xiao-Li;Guo,Xiao-Ke;Zhang,Xiao-Jin;Sun,Hao-Peng;You,Qi-Dong[JournalofMedicinalChemistry,2015,vol.58,#16,p.6410-6421]

29897-82-3    54997-92-1   
1-benzyl-3-((4-butylphenyl)sulfonyl)-1H-pyrrole 

[1]AngewandteChemie-InternationalEdition,2018,vol.57,p.14787-14791    Angew.Chem.,2018,vol.130,p.15003-15007,5

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