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25775-03-5,MFCD07772802
Catalog No.:AA00BCMM

25775-03-5 | 2-(1H-Pyrazol-1-yl)benzonitrile

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1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$211.00   $148.00
- +
10g
98%
in stock  
$311.00   $218.00
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25g
98%
in stock  
$510.00   $357.00
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100g
98%
in stock  
$1,333.00   $933.00
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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:
AA00BCMM
Chemical Name:
2-(1H-Pyrazol-1-yl)benzonitrile
CAS Number:
25775-03-5
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
MDL Number:
MFCD07772802
SMILES:
N#Cc1ccccc1n1cccn1
Properties
Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]DeLaHoz,Antonio;Díaz-Ortiz,Angel;Elguero,José;Martínez,LuisJ.;Moreno,Andrés;Sánchez-Migallón,Ana[Tetrahedron,2001,vol.57,#20,p.4397-4403]

[1]CurrentPatentAssignee:ARRIENPHARMACEUTICALSLLC-US2020/131154,2020,A1Locationinpatent:Paragraph0312-0317

[2]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-US6723743,2004,B1Locationinpatent:Page/Pagecolumn142

[3]CurrentPatentAssignee:SANTHERAPHARMACEUTICALSHOLDINGAG-WO2005/95343,2005,A1Locationinpatent:Page/Pagecolumn53-54

[1]OrganicandBiomolecularChemistry,2015,vol.13,p.10656-10662

[1]OrganicandBiomolecularChemistry,2015,vol.13,p.10656-10662

[1]Yuan,Chunling;Zhang,Lei;Zhao,Yingdai[Molecules,2019,vol.24,#22]

[2]Zhou,Qifan;Du,Fangyu;Chen,Yuanguang;Fu,Yang;Sun,Wenjiao;Wu,Ying;Chen,Guoliang[JournalofOrganicChemistry,2019,vol.84,#12,p.8160-8167]

[3]Yuan,Chunling;Zhao,Yingdai;Zheng,Li[Synlett,2019,vol.30,#19,p.2173-2180]

[4]Edjoc,RacquelK.;Mills,L.Reginald;Rousseaux,SophieA.L.[JournaloftheAmericanChemicalSociety,2021,vol.143,#27,p.10422-10428]

[5]Damkaci,Fehmi;Alawaed,Abdulkhaliq;Vik,Erik[TetrahedronLetters,2016,vol.57,#20,p.2197-2200]

Literature
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Tags:25775-03-5 Molecular Formula|25775-03-5 MDL|25775-03-5 SMILES|25775-03-5 2-(1H-Pyrazol-1-yl)benzonitrile