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111198-08-4,MFCD00082568
Catalog No.:AA008XCK

111198-08-4 | 1H-Benzotriazole-1-acetonitrile

Pack Size
Purity
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Price(USD)
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250mg
98%
in stock  
$75.00   $52.00
- +
1g
98%
in stock  
$136.00   $95.00
- +
5g
97%
in stock  
$402.00   $282.00
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10g
97%
in stock  
$610.00   $427.00
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25g
97%
in stock  
$1,200.00   $840.00
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100g
97%
in stock  
$3,004.00   $2,103.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008XCK
Chemical Name:
1H-Benzotriazole-1-acetonitrile
CAS Number:
111198-08-4
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD00082568
SMILES:
N#CCn1nnc2c1cccc2
Properties
Computed Properties
 
Complexity:
206  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Katritzky;Chen;Yang[JournalofOrganicChemistry,1995,vol.60,#17,p.5638-5642]

[1]Carta,Antonio;Palomba,Michele;Boatto,Gianpiero;Busonera,Bernardetta;Murreddu,Marta;Loddo,Roberta[IlFarmaco,2004,vol.59,#8,p.637-644]

[2]Sanna,Paolo;Carta,Antonio;Nikookar,MohammadE.Rahbar[EuropeanJournalofMedicinalChemistry,2000,vol.35,#5,p.535-543]

[3]Danan;Charon;Kirkiacharian;Bories;Loiseau[IlFarmaco,1997,vol.52,#4,p.227-229]

[4]Das,Jagattaran;Rao,C.V.Laxman;Sastry;Roshaiah;Sankar,P.Gowri;Khadeer,Abdul;Kumar,M.Sitaram;Mallik,Arundhuti;Selvakumar;Iqbal,Javed;Trehan,Sanjay[BioorganicandMedicinalChemistryLetters,2005,vol.15,#2,p.337-343]

[5]Locationinpatent:experimentalpartYu,Tianzhi;Zhang,Peng;Zhao,Yuling;Zhang,Hui;Meng,Jing;Fan,Duowang;Chen,Lili;Qiu,Yongqing[Organicelectronics,2010,vol.11,#1,p.41-49]

[6]Li,Qiujing;Li,Zhulai;Liu,Guijun;Wang,Ningning;Yin,Huiyong[JournalofHeterocyclicChemistry,2019]

[1]Sanna,Paolo;Carta,Antonio;Nikookar,MohammadE.Rahbar[EuropeanJournalofMedicinalChemistry,2000,vol.35,#5,p.535-543]

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.1939-1942

[1]Henke,BradR;Drewry,DavidH.;Jones,StaceyA.;Stewart,EugeneL.;Weaver,SusanL.;Wiethe,RobertW.[BioorganicandMedicinalChemistryLetters,2001,vol.11,#14,p.1939-1942]

Literature

Title: Synthesis and properties of new substituted 1,2,4-triazoles: potential antitumor agents.

Journal: Bioorganic & medicinal chemistry 20030417

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