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57774-36-4,MFCD05980153
Catalog No.:AA00E91L

57774-36-4 | 4-(4-Chlorophenyl)benzonitrile

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Purity
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Price(USD)
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1g
97%
in stock  
$211.00   $148.00
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5g
97%
in stock  
$809.00   $567.00
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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:
AA00E91L
Chemical Name:
4-(4-Chlorophenyl)benzonitrile
CAS Number:
57774-36-4
Molecular Formula:
C13H8ClN
Molecular Weight:
213.6623
MDL Number:
MFCD05980153
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)Cl
Properties
Properties
 
BP:
359.8°C at 760 mmHg  
Form:
Solid  
MP:
129-130℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
4.7  

Downstream Synthesis Route

[1]TohokuYakkaDaigakuKiyo,1957,p.11    Chem.Abstr.,1958,p.7233

[1]Xu,Caifeng;Yin,Lin;Huang,Bin;Liu,Haiyi;Cai,Mingzhong[Tetrahedron,2016,vol.72,#17,p.2065-2071]

[2]Rao,MaddaliL.N.;Banerjee,Debasis;Dhanorkar,RiteshJ.[TetrahedronLetters,2010,vol.51,#47,p.6101-6104]

[1]Cao,Gao;Yang,Hai-Qing;Luo,Bao-Tian;Liu,Feng-Shou[JournalofOrganometallicChemistry,2013,vol.745-746,p.158-165]

[2]Maji,Ankur;Singh,Anshu;Mohanty,Aurobinda;Maji,PradipK.;Ghosh,Kaushik[DaltonTransactions,2019,vol.48,#45,p.17083-17096]

[3]Liao,Yang;Yang,Weisen;Wei,Ting;Cai,Mingzhong[SyntheticCommunications,2019,vol.49,#9,p.1134-1142]

[4]Kang,Sunhee;Kim,RyangYeo;Seo,MinJung;Lee,Saeyeon;Kim,YoungMi;Seo,Mooyoung;Seo,JeongJea;Ko,Yoonae;Choi,Inhee;Jang,Jichan;Nam,Jiyoun;Park,Seijin;Kang,Hwankyu;Kim,HyungJun;Kim,Jungjun;Ahn,Sujin;Pethe,Kevin;Nam,Kiyean;No,Zaesung;Kim,Jaeseung[JournalofMedicinalChemistry,2014,vol.57,#12,p.5293-5305]

[5]Goetz,Roland;Hashmi,A.StephenK.;Orecchia,Patrizio;Petkova,DesislavaSlavcheva;Rominger,Frank;Schaub,Thomas[GreenChemistry,2021,vol.23,#20,p.8169-8180]

[1]Borzenko,Andrey;Rotta-Loria,NicolasL.;Macqueen,PrestonM.;Lavoie,ChristopherM.;McDonald,Robert;Stradiotto,Mark[AngewandteChemie-InternationalEdition,2015,vol.54,#12,p.3773-3777][Angew.Chem.,2015,vol.127,#12,p.3844-3848,5]

[1]CurrentPatentAssignee:LIANHECHEMICALTECHNOLOGYCO.,LTD.-CN105294492,2016,ALocationinpatent:Paragraph0116;0117

[2]CurrentPatentAssignee:LIANHUATECHNOLOGYSHANGHAI;HUBEIQUNTAIPHARMACEUTICAL;LIANHECHEMICALTECHNOLOGYCO.,LTD.-CN105198682,2018,BLocationinpatent:Paragraph0114;0117;0118

[3]Antonacci,Giuseppe;Ahlburg,Andreas;Fristrup,Peter;Norrby,Per-Ola;Madsen,Robert[EuropeanJournalofOrganicChemistry,2017,vol.2017,#32,p.4758-4764]

Literature
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