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20138-79-8,MFCD22421514
Catalog No.:AA00BICV

20138-79-8 | 2,1,3-Benzothiadiazole-4,7-dicarbonitrile

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Purity
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Price(USD)
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100mg
95%
in stock  
$137.00   $96.00
- +
250mg
95%
in stock  
$261.00   $183.00
- +
1g
95%
in stock  
$544.00   $381.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BICV
Chemical Name:
2,1,3-Benzothiadiazole-4,7-dicarbonitrile
CAS Number:
20138-79-8
Molecular Formula:
C8H2N4S
Molecular Weight:
186.1933
MDL Number:
MFCD22421514
SMILES:
N#Cc1ccc(c2c1nsn2)C#N
Properties
Computed Properties
 
Complexity:
268  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableGaro,Florian;Haener,Robert[EuropeanJournalofOrganicChemistry,2012,#14,p.2801-2808]

[2]Zhao,Yingnan;Han,Xiao;Yu,Feihu;Wei,Donghui;Cheng,Qing;Meng,Xiangru;Ding,Jie;Hou,Hongwei[Chemistry-AEuropeanJournal,2019,vol.25,#20,p.5246-5250]

[3]Grubb,ColinJ.;Cole-Hamilton,DavidJ.;Whittlesey,MichaelK.[JournaloftheChemicalSociety-FaradayTransactions,1996,vol.92,#24,p.5005-5012]

[4]Cheng,Qing;Han,Xiao;Tong,Yue;Huang,Chao;Ding,Jie;Hou,Hongwei[InorganicChemistry,2017,vol.56,#3,p.1696-1705]

[5]Han,Xiao;Cheng,Qing;Meng,Xiangru;Shao,Zhichao;Ma,Ke;Wei,Donghui;Ding,Jie;Hou,Hongwei[ChemicalCommunications,2017,vol.53,#74,p.10314-10317]

[1]Shao,Jinjun;Chang,Jingjing;Chi,Chunyan[Chemistry-AnAsianJournal,2014,vol.9,#1,p.253-260]

[2]Elliott,MacKenna;Groy,ThomasL.;Hammes-Schiffer,Sharon;Moore,AnaL.;Moore,ThomasA.;Odella,Emmanuel;Secor,Maxim[ChemicalScience,2021,vol.12,#38,p.12667-12675]

[3]Aslan,JosephM.;Boston,DavidJ.;MacDonnell,FrederickM.[Chemistry-AEuropeanJournal,2015,vol.21,#48,p.17314-17323]

15155-41-6   
copper(l)cyanide 
  20138-79-8    1331742-86-9 

[1]JournalofOrganicChemistry,2017,vol.82,p.8842-8847

Literature
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SDS
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