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Home Other Building Blocks 5728-45-0
5728-45-0,MFCD04117359
Catalog No.:AA00EE3K

5728-45-0 | 4-(3-Cyanophenyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95
in stock  
$143.00   $100.00
- +
1g
95%
in stock  
$261.00   $183.00
- +
5g
95%
in stock  
$760.00   $532.00
- +
10g
95%
in stock  
$1,258.00   $881.00
- +
25g
95%
in stock  
$2,505.00   $1,754.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EE3K
Chemical Name:
4-(3-Cyanophenyl)benzoic acid
CAS Number:
5728-45-0
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD04117359
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)C(=O)O
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
322  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

[1]Cao,Liyuan;Ding,Hong;Han,Jie;Hou,Zeng;Li,Yuanqing;Luo,Cheng;Min,Wenjian;Niu,Ao;Yang,Peng;Zhang,Rukang[Bioorganicandmedicinalchemistryletters,2020]

[2]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

5728-45-0    908093-98-1   
3'-Cyano-biphenyl-4-carboxylicacidbenzhydrylester 

[1]Ananthakrishnanadar,P.;Kannan,N.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1981,vol.20,#11,p.978-980]

[1]Byron,D.J.etal.[JournaloftheChemicalSocietyC:Organic,1966,p.840-845]

[1]Zhang,Penglie;Bao,Liang;Zuckett,JingmeiF.;Goldman,ErickA.;Jia,ZhaozhongJ.;Arfsten,Ann;Edwards,Susan;Sinha,Uma;Hutchaleelaha,Athiwat;Park,Gary;Lambing,JosephL.;Hollenbach,StanleyJ.;Scarborough,RobertM.;Zhu,Bing-Yan[BioorganicandMedicinalChemistryLetters,2004,vol.14,#4,p.983-987]

Literature
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