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5219-61-4,MFCD00019831
Catalog No.:AA003TNI

5219-61-4 | 2-(Phenylthio)acetonitrile

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1g
98%
in stock  
$21.00   $15.00
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5g
97%
in stock  
$60.00   $42.00
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25g
97%
in stock  
$163.00   $114.00
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100g
97%
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$529.00   $370.00
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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:
AA003TNI
Chemical Name:
2-(Phenylthio)acetonitrile
CAS Number:
5219-61-4
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD00019831
SMILES:
N#CCSc1ccccc1
Properties
Properties
 
BP:
263.7°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableRahimizadeh,Mohammad;Rajabzadeh,Ghadir;Khatami,Seyed-Mola;Eshghi,Hossein;Shiri,Ali[JournalofMolecularCatalysisA:Chemical,2010,vol.323,#1-2,p.59-64]

[2]Chakravarthy,RajanDeepan;Ramkumar,Venkatachalam;Chand,DillipKumar[GreenChemistry,2014,vol.16,#4,p.2190-2196]

[3]Locationinpatent:experimentalpartLakouraj,MoslemMansour;Abdi,Hamid;Hasantabar,Vahid[JournalofSulfurChemistry,2011,vol.32,#5,p.435-441]

[4]Jereb,Marjan[GreenChemistry,2012,vol.14,#11,p.3047-3052,6]

[5]Dijkstra;Backer[RecueildesTravauxChimiquesdesPays-Bas,1954,vol.73,p.569,572]

[6]Gonzalez,PedroB.;Lopez,Rosa;Palomo,Claudio[JournalofOrganicChemistry,2010,vol.75,#11,p.3920-3922]

[7]Götz,KathrinH.;Hacker,StephanM.;Mayer,Daniel;Dürig,Jan-Niklas;Stenger,Steffen;Marx,Andreas[ACSChemicalBiology,2017,vol.12,#10,p.2682-2689]

[1]Galambos;Simonidesz;Ivanics;etal.[TetrahedronLetters,1983,vol.24,#12,p.1281-1284]

[2]Dijkstra;Backer[RecueildesTravauxChimiquesdesPays-Bas,1954,vol.73,p.569,572]

[3]Dressler,H.;Graham,J.E.[JournalofOrganicChemistry,1967,vol.32,p.985-990]Agawa,Toshio;Yoshida,Yasuo;Komatsu,Mitsuo;Ohshiro,Yoshiki[JournaloftheChemicalSociety.PerkintransactionsI,1981,p.751-755]

[4]Gerdil,R.[JournaloftheChemicalSocietyB:PhysicalOrganic,1966,vol.<B>,p.1071-1075]

[5]Numata,Tatsuo;Itoh,Osamu;Yoshimura,Toshiaki;Oae,Shigeru[BulletinoftheChemicalSocietyofJapan,1983,vol.56,#1,p.257-265]

[1]Takasu,Mayumi;Wakabayashi,Hiroaki;Furuta,Kyoji;Yamamoto,Hisashi[TetrahedronLetters,1988,vol.29,#52,p.6943-6946]

[1]Makosza,Mieczyslaw;Kinowski,Andrzej;Danikiewicz,Witold;Mudryk,Boguslaw[LiebigsAnnalenderChemie,1986,#1,p.69-77]

[1]LiebigsAnnalenderChemie,1986,p.69-77

[2]LiebigsAnnalenderChemie,1986,p.69-77

Literature

Title: Enzymatic characterization of the recombinant Arabidopsis thaliana nitrilase subfamily encoded by the NIT2/NIT1/NIT3-gene cluster.

Journal: Planta 20010301

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