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3041-40-5,MFCD00970100
Catalog No.:AA002ZYQ

3041-40-5 | 2-Phenylmalononitrile

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100mg
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250mg
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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:
AA002ZYQ
Chemical Name:
2-Phenylmalononitrile
CAS Number:
3041-40-5
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00970100
SMILES:
N#CC(c1ccccc1)C#N
NSC Number:
10742
Properties
Properties
 
BP:
261.2°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
192  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]OrganicLetters,2019,vol.21,p.2597-2601

[2]AmericanChemicalJournal,1904,vol.32,p.120

3041-40-5    14106-41-3   
1,2-bis(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-(-1,1-dicyano-methylidene)cyclohexadien-1-ylidene)cyclopropene 

[1]Wellman,DanielE.;West,Robert[JournaloftheAmericanChemicalSociety,1984,vol.106,#2,p.355-360]

[1]Suzuki,Hitomi;Koide,Hideki;Ogawa,Takuji[BulletinoftheChemicalSocietyofJapan,1988,vol.61,#2,p.501-504]

[1]Zvilichovsky,Gury;David,Mordechai[JournalofOrganicChemistry,1983,vol.48,#4,p.575-579]

[1]Locationinpatent:schemeortableWilson,NoelS.;Osuma,AugustineT.;Camp,JenniferA.Van;Xu,Xiangdong[TetrahedronLetters,2012,vol.53,#34,p.4498-4501]

[2]CurrentPatentAssignee:SYNERGENICSLCC-US2012/277224,2012,A1Locationinpatent:Page/Pagecolumn39

[3]Zvilichovsky,Gury;David,Mordechai[JournaloftheChemicalSociety.PerkintransactionsI,1983,#1,p.11-16]

[4]Osuma,AugustineT.;Xu,Xiangdong;Wang,Zhi;VanCamp,JenniferA.;Freiberg,GailM.[BioorganicandMedicinalChemistryLetters,2019,vol.29,#19]

[5]Oh,Sangmi;Libardo,M.DabenJ.;Azeeza,Shaik;Pauly,GaryT.;Roma,JoseSantinniO.;Sajid,Andaleeb;Tateishi,Yoshitaka;Duncombe,Caroline;Goodwin,Michael;Ioerger,ThomasR.;Wyatt,PaulG.;Ray,PeterC.;Gray,DavidW.;Boshoff,HelenaI.M.;Barry,CliftonE.[ACSInfectiousDiseases,2021,vol.7,#2,p.479-492]

Literature

Title: The conversion of phenylpropanedinitrile (phenylmalononitrile) into the carbanion, followed by IR spectra, ab initio and DFT force field calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20031101

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