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1186603-47-3,MFCD28359712
Catalog No.:AA0094UA

1186603-47-3 | 5-Chloro-2-(phenylethynyl)benzaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$47.00   $33.00
- +
5g
97%
in stock  
$123.00 $86.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0094UA
Chemical Name:
5-Chloro-2-(phenylethynyl)benzaldehyde
CAS Number:
1186603-47-3
Molecular Formula:
C15H9ClO
Molecular Weight:
240.6844
MDL Number:
MFCD28359712
SMILES:
O=Cc1cc(Cl)ccc1C#Cc1ccccc1
Properties
Computed Properties
 
Complexity:
318  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,#35,p.12560-12561

[1]OrganicLetters,2011,vol.13,#9,p.2228-2231

[2]OrganicandBiomolecularChemistry,2012,vol.10,#9,p.1922-1930

[3]Chemistry-AEuropeanJournal,2015,vol.21,#50,p.18122-18127

[4]AdvancedSynthesisandCatalysis,2013,vol.355,#2-3,p.559-568

[5]ChemicalCommunications,2013,vol.49,#96,p.11320-11322

[6]JournaloftheAmericanChemicalSociety,2015,vol.137,#3,p.1165-1180

[7]JournalofOrganicChemistry,2015,vol.80,#15,p.7635-7641

[8]OrganicLetters,2015,vol.17,#16,p.4018-4021

[9]JournalofOrganicChemistry,2014,vol.79,#21,p.10674-10681

[10]Chemistry-AEuropeanJournal,2016,vol.22,#27,p.9125-9129

[11]Patent:CN105330663,2016,A,.Locationinpatent:Paragraph0038;0039;0040

[12]ChemicalCommunications,2017,vol.53,#85,p.11666-11669

[13]OrganicLetters,2017,vol.19,#19,p.5070-5073

[14]OrganicLetters,2017,vol.19,#21,p.5856-5859

[15]AngewandteChemie-InternationalEdition,2017,vol.56,#49,p.15570-15574

[16]Angew.Chem.,2017,vol.129,p.15776-15780,5

[17]AdvancedSynthesisandCatalysis,2018,vol.360,#15,p.2825-2830

[1]RSCAdvances,2014,vol.4,#73,p.38491-38497

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,p.12560-12561

536-74-3   
trifluoro-methanesulfonicacid4-chloro2-formyl-phenylester 
  1186603-47-3 

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,p.12560-12561

[1]ChemicalCommunications,2010,vol.46,p.5238-5240

[1]ChemicalCommunications,2010,vol.46,p.5238-5240

[1]JournalofCombinatorialChemistry,2010,vol.12,p.238-244

Literature
Quotation Request
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SDS
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Tags:1186603-47-3 Molecular Formula|1186603-47-3 MDL|1186603-47-3 SMILES|1186603-47-3 5-Chloro-2-(phenylethynyl)benzaldehyde
Catalog No.: AA0094UA
1186603-47-3,MFCD28359712
1186603-47-3 | 5-Chloro-2-(phenylethynyl)benzaldehyde
Pack Size： 1g
Purity： 97%
in stock
$47.00 $33.00
Pack Size： 5g
Purity： 97%
in stock
$123.00 $86.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0094UA
Chemical Name: 5-Chloro-2-(phenylethynyl)benzaldehyde
CAS Number: 1186603-47-3
Molecular Formula: C15H9ClO
Molecular Weight: 240.6844
MDL Number: MFCD28359712
SMILES: O=Cc1cc(Cl)ccc1C#Cc1ccccc1
Properties
Complexity: 318  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Upstream Synthesis Route
536-74-3    1186603-47-3 

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,#35,p.12560-12561

174265-12-4    536-74-3    1186603-47-3 

[1]OrganicLetters,2011,vol.13,#9,p.2228-2231

[2]OrganicandBiomolecularChemistry,2012,vol.10,#9,p.1922-1930

[3]Chemistry-AEuropeanJournal,2015,vol.21,#50,p.18122-18127

[4]AdvancedSynthesisandCatalysis,2013,vol.355,#2-3,p.559-568

[5]ChemicalCommunications,2013,vol.49,#96,p.11320-11322

[6]JournaloftheAmericanChemicalSociety,2015,vol.137,#3,p.1165-1180

[7]JournalofOrganicChemistry,2015,vol.80,#15,p.7635-7641

[8]OrganicLetters,2015,vol.17,#16,p.4018-4021

[9]JournalofOrganicChemistry,2014,vol.79,#21,p.10674-10681

[10]Chemistry-AEuropeanJournal,2016,vol.22,#27,p.9125-9129

[11]Patent:CN105330663,2016,A,.Locationinpatent:Paragraph0038;0039;0040

[12]ChemicalCommunications,2017,vol.53,#85,p.11666-11669

[13]OrganicLetters,2017,vol.19,#19,p.5070-5073

[14]OrganicLetters,2017,vol.19,#21,p.5856-5859

[15]AngewandteChemie-InternationalEdition,2017,vol.56,#49,p.15570-15574

[16]Angew.Chem.,2017,vol.129,p.15776-15780,5

[17]AdvancedSynthesisandCatalysis,2018,vol.360,#15,p.2825-2830

536-74-3    1186603-47-3 

[1]RSCAdvances,2014,vol.4,#73,p.38491-38497

Downstream Synthesis Route
1186603-47-3    1186603-48-4 

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,p.12560-12561

536-74-3   
trifluoro-methanesulfonicacid4-chloro2-formyl-phenylester 
  1186603-47-3 

[1]JournaloftheAmericanChemicalSociety,2009,vol.131,p.12560-12561

141-32-2    1186603-47-3    1239318-05-8 

[1]ChemicalCommunications,2010,vol.46,p.5238-5240

1186603-47-3    78-94-4    1239485-88-1 

[1]ChemicalCommunications,2010,vol.46,p.5238-5240

95-20-5    111-86-4    1186603-47-3    1207290-10-5 

[1]JournalofCombinatorialChemistry,2010,vol.12,p.238-244

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