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217077-89-9,MFCD27500652
Catalog No.:AA003KAO

217077-89-9 | 4,4'-[1,4-Phenylenebis(ethyne-2,1-diyl)]dibenzoic acid

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250mg
98%
in stock  
$56.00   $39.00
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1g
98%
in stock  
$142.00   $100.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003KAO
Chemical Name:
4,4'-[1,4-Phenylenebis(ethyne-2,1-diyl)]dibenzoic acid
CAS Number:
217077-89-9
Molecular Formula:
C24H14O4
Molecular Weight:
366.3656
MDL Number:
MFCD27500652
SMILES:
OC(=O)c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
>300℃ (decomp)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
626  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
5  

Downstream Synthesis Route

[1]Matsubara,Hiroshi;Shimura,Tomohiro;Hasegawa,Akio;Semba,Miki;Asano,Kaori;Yamamoto,Koji[ChemistryLetters,1998,#11,p.1099-1100]

217077-89-9    217078-29-0   
C76H66O14 

[1]Matsubara,Hiroshi;Shimura,Tomohiro;Hasegawa,Akio;Semba,Miki;Asano,Kaori;Yamamoto,Koji[ChemistryLetters,1998,#11,p.1099-1100]

[1]Doan,TanL.H.;Nguyen,HaL.;Pham,HungQ.;Pham-Tran,Nguyen-Nguyen;Le,ThachN.;Cordova,KyleE.[Chemistry-AnAsianJournal,2015,vol.10,#12,p.2660-2668]

[2]Marshall,RossJ.;Griffin,SarahL.;Wilson,Claire;Forgan,RossS.[Chemistry-AEuropeanJournal,2016,vol.22,#14,p.4870-4877]

[3]Marshall,RossJ.;Kalinovskyy,Yaroslav;Griffin,SarahL.;Wilson,Claire;Blight,BarryA.;Forgan,RossS.[JournaloftheAmericanChemicalSociety,2017,vol.139,#17,p.6253-6260]

[4]Fasina,TolulopeM.;Collings,JonathanC.;Burke,JacquelineM.;Batsanov,AndreiS.;Ward,RichardM.;Albesa-Jove,David;Porres,Laurent;Beeby,Andrew;Howard,JudithA.K.;Scott,AndrewJ.;Clegg,William;Watt,StephenW.;Viney,Christopher;Marder,ToddB.[JournalofMaterialsChemistry,2005,vol.15,#6,p.690-697]

[5]Doan,TanL.H.;Dao,ThongQ.;Tran,HaiN.;Tran,PhuongH.;Le,ThachN.[DaltonTransactions,2016,vol.45,#18,p.7875-7880]

[1]Polyansky,DmitryE.;Danilov,EvgenyO.;Voskresensky,SergeyV.;Rodgers,MichaelA.J.;Neckers,DouglasC.[JournaloftheAmericanChemicalSociety,2005,vol.127,#39,p.13452-13453]

[1]Polyansky,DmitryE.;Danilov,EvgenyO.;Voskresensky,SergeyV.;Rodgers,MichaelA.J.;Neckers,DouglasC.[JournaloftheAmericanChemicalSociety,2005,vol.127,#39,p.13452-13453]

Literature
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Tags:217077-89-9 Molecular Formula|217077-89-9 MDL|217077-89-9 SMILES|217077-89-9 4,4'-[1,4-Phenylenebis(ethyne-2,1-diyl)]dibenzoic acid