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Home Fluorides 64285-95-6
64285-95-6,MFCD00042412
Catalog No.:AA003K8H

64285-95-6 | 4-(Trifluoromethoxy)phenylisothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
98%(GC)
in stock  
$54.00   $38.00
- +
25g
98%(GC)
in stock  
$175.00   $123.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003K8H
Chemical Name:
4-(Trifluoromethoxy)phenylisothiocyanate
CAS Number:
64285-95-6
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
MDL Number:
MFCD00042412
SMILES:
S=C=Nc1ccc(cc1)OC(F)(F)F
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
2  
XLogP3:
4.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/122241,2007,A1Locationinpatent:Page/Pagecolumn39

[1]Bouayad-Gervais,Samir;Scattolin,Thomas;Schoenebeck,Franziska[AngewandteChemie-InternationalEdition,2020,vol.59,#29,p.11908-11912][Angew.Chem.,2020,vol.132,#29,p.12006-12010,5]

[2]Karakucuk-Iyidogan,Ayseguel;Mercan,Zeliha;Oruc-Emre,EmineElcin;Tasdemir,Demet;Isler,Derya;Kilic,IbrahimHalil;Oezaslan,Mehmet[Phosphorus,SulfurandSiliconandtheRelatedElements,2014,vol.189,#5,p.661-673]

[3]Kai,Hiroyuki;Morioka,Yasuhide;Tomida,Minoru;Takahashi,Tadashi;Hattori,Maki;Hanasaki,Kohji;Koike,Katsumi;Chiba,Hiroki;Shinohara,Shunji;Kanemasa,Toshiyuki;Iwamoto,Yuka;Takahashi,Kohji;Yamaguchi,Yoshitaka;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.3925-3929]

[4]Nielsen,ChristianD.-T.;Zivkovic,FilipG.;Schoenebeck,Franziska[JournaloftheAmericanChemicalSociety,2021,vol.143,#33,p.13029-13033]

64285-95-6    69408-81-7   
N-2-2-(dimethylamino)ethyl-1,3-dioxo-2,3-dihydro-1H-benzodeisoquinolin-5-yl-N'-4-(trifluoromethoxy)phenylthiourea 

[1]JournalofMedicinalChemistry,2007,vol.50,p.4122-4134

[2]Patent:WO2005/105753,2005,A2.Locationinpatent:Page/Pagecolumn46-47

64285-95-6    59681-66-2   
C15H13ClF3N3OS 

[1]Patent:WO2005/65680,2005,A1.Locationinpatent:Page/Pagecolumn54

[1]Yao,Jianwen;He,Zuopeng;Chen,Jing;Sun,Wei;Fang,Hao;Xu,Wenfang[Bioorganicandmedicinalchemistryletters,2012,vol.22,#21,p.6549-6553,5]

Literature
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SDS
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