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58588-64-0,MFCD11036376
Catalog No.:AA00IAC5

58588-64-0 | 3-Chloro-4-formylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$39.00   $28.00
- +
1g
97%
in stock  
$47.00   $33.00
- +
5g
97%
in stock  
$170.00   $119.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IAC5
Chemical Name:
3-Chloro-4-formylbenzonitrile
CAS Number:
58588-64-0
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD11036376
SMILES:
N#Cc1ccc(c(c1)Cl)C=O
Properties
Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Upstream Synthesis Route

[1]Patent:US2010/305052,2010,A1,.Locationinpatent:Page/Pagecolumn24

[2]Patent:KR101614164,2016,B1,.Locationinpatent:Paragraph0363-0365;0367

[1]Patent:EP1719767,2006,A1,.Locationinpatent:Page/Pagecolumn24-28;41

[1]Patent:US2010/136142,2010,A1,

[1]JournalofMedicinalChemistry,2007,vol.50,#10,p.2468-2485

[1]JournaloftheAmericanChemicalSociety,2017,vol.139,#2,p.888-896

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1976,vol.19,p.783-787

[1]JournalofMedicinalChemistry,1976,vol.19,p.783-787

[1]JournalofMedicinalChemistry,2007,vol.50,p.2468-2485

[1]JournalofMedicinalChemistry,2007,vol.50,p.2468-2485

[2]Patent:EP1719767,2006,A1.Locationinpatent:Page/Pagecolumn24-28;42

[1]JournalofMedicinalChemistry,2007,vol.50,p.2468-2485

[2]JournalofMedicinalChemistry,1976,vol.19,p.783-787

[3]Patent:KR101614164,2016,B1

Literature
Quotation Request
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SDS
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