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946-02-1,MFCD00019005
Catalog No.:AA00IIB1

946-02-1 | 4-Chlorobutyl benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
>98.0%(GC)
in stock  
$53.00   $37.00
- +
25g
>98.0%(GC)
in stock  
$159.00   $112.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IIB1
Chemical Name:
4-Chlorobutyl benzoate
CAS Number:
946-02-1
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD00019005
SMILES:
ClCCCCOC(=O)c1ccccc1
NSC Number:
118972
Properties
Computed Properties
 
Complexity:
165  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Patent:US2006/30705,2006,A1.Locationinpatent:Page/Pagecolumn25-26

[1]Chen,Huan-Huan;Wang,Guang-Zu;Han,Jin;Xu,Meng-Yu;Zhao,Yong-Qiang;Xu,Hua-Jian[Tetrahedron,2014,vol.70,#2,p.212-217]

[1]CurrentPatentAssignee:ANHUICHENGLIANMEDICINETECH-CN111410600,2020,ALocationinpatent:Paragraph0047-0048

Literature
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SDS
Tags:946-02-1 Molecular Formula|946-02-1 MDL|946-02-1 SMILES|946-02-1 4-Chlorobutyl benzoate