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4210-60-0,MFCD00191326
Catalog No.:AA003UJ5

4210-60-0 | tert-Butylmalononitrile

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Purity
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Price(USD)
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5g
98%
in stock  
$26.00   $18.00
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25g
98%
in stock  
$103.00   $72.00
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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:
AA003UJ5
Chemical Name:
tert-Butylmalononitrile
CAS Number:
4210-60-0
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
MDL Number:
MFCD00191326
SMILES:
N#CC(C(C)(C)C)C#N
Properties
Properties
 
Form:
Solid  
MP:
84℃  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
164  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Li,Jing;Lear,MartinJ.;Hayashi,Yujiro[AngewandteChemie-InternationalEdition,2016,vol.55,#31,p.9060-9064][Angew.Chem.,2016,vol.128,p.9206-9210]

[2]Wheland,R.S.;Martin,E.L.[JournalofOrganicChemistry,1975,vol.40,#21,p.3101-3109]

[1]JournalofOrganicChemistry,1975,vol.40,p.3101-3109

[1]CurrentPatentAssignee:RIBONTHERAPEUTICSINC-US2019/330194,2019,A1Locationinpatent:Paragraph2071

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2021/28512,2021,A1Locationinpatent:Page/Pagecolumn51

[3]Reichardt,C.;Wuerthwein,E.-U.[ChemischeBerichte,1974,vol.107,p.3454-3456]

[4]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2014/170197,2014,A1Locationinpatent:Page/Pagecolumn90

[1]Verhe,R.etal.[Synthesis,1978,p.530-532]

[1]Boldt,P.etal.[JustusLiebigsAnnalenderChemie,1968,vol.718,p.101-114]

[2]Crossley,MaxwellJ.;Gorjian,Sargon;Sternhell,Sever;Tansey,KerrieM.[AustralianJournalofChemistry,1994,vol.47,#4,p.723-738]

Literature
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SDS
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Tags:4210-60-0 Molecular Formula|4210-60-0 MDL|4210-60-0 SMILES|4210-60-0 tert-Butylmalononitrile