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137218-25-8,MFCD16295036
Catalog No.:AA0012VM

137218-25-8 | 2-(Trifluoromethoxy)phenylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$12.00   $8.00
- +
5g
>95.0%(GC)
in stock  
$19.00   $13.00
- +
25g
98%
in stock  
$62.00   $43.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0012VM
Chemical Name:
2-(Trifluoromethoxy)phenylacetonitrile
CAS Number:
137218-25-8
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD16295036
SMILES:
N#CCc1ccccc1OC(F)(F)F
Properties
Properties
 
BP:
212.3°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.449(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route
137218-25-8    292638-85-8   
C17H18F3NO5 

[1]Su,Dai-Shi;Lim,JohnL.;Markowitz,M.Kristine;Wan,Bang-Lin;Murphy,KathyL.;Reiss,DuaneR.;Harrell,C.Meacham;O'Malley,StacyS.;Ransom,RickW.;Chang,RaymondS.L.;Pettibone,DouglasJ.;Tang,Cuyue;Prueksaritanont,Thomayant;Freidinger,RogerM.;Bock,MarkG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3006-3009]

137218-25-8   
2-(1,1,2,2-Tetrafluoroethoxy)phenylacetonitrile 
 
2-(1,1,2,2-tetrafluoroethoxy)phenylaceticacid 

[1]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

198649-68-2   
EtOAc-hexanes 
  137218-25-8 

[1]CurrentPatentAssignee:MERCK&COINC-US5968938,1999,A

[2]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

[1]CurrentPatentAssignee:MERCK&COINC-US5968938,1999,A

[2]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

[1]CurrentPatentAssignee:RECORDATISPA-WO2003/106443,2003,A1Locationinpatent:Page38

[2]CurrentPatentAssignee:RECORDATISPA-US2004/72839,2004,A1Locationinpatent:Page/Pagecolumn21

Literature
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SDS
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Tags:137218-25-8 Molecular Formula|137218-25-8 MDL|137218-25-8 SMILES|137218-25-8 2-(Trifluoromethoxy)phenylacetonitrile
Catalog No.: AA0012VM
137218-25-8,MFCD16295036
137218-25-8 | 2-(Trifluoromethoxy)phenylacetonitrile
Pack Size： 250mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 98%
in stock
$12.00 $8.00
Pack Size： 5g
Purity： >95.0%(GC)
in stock
$19.00 $13.00
Pack Size： 25g
Purity： 98%
in stock
$62.00 $43.00
Quantity
- +
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Technical Information
Catalog Number: AA0012VM
Chemical Name: 2-(Trifluoromethoxy)phenylacetonitrile
CAS Number: 137218-25-8
Molecular Formula: C9H6F3NO
Molecular Weight: 201.1452
MDL Number: MFCD16295036
SMILES: N#CCc1ccccc1OC(F)(F)F
Properties
BP: 212.3°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.449(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 230  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Rotatable Bond Count: 2  
XLogP3: 2.8  
Downstream Synthesis Route
137218-25-8    292638-85-8   
C17H18F3NO5 

[1]Su,Dai-Shi;Lim,JohnL.;Markowitz,M.Kristine;Wan,Bang-Lin;Murphy,KathyL.;Reiss,DuaneR.;Harrell,C.Meacham;O'Malley,StacyS.;Ransom,RickW.;Chang,RaymondS.L.;Pettibone,DouglasJ.;Tang,Cuyue;Prueksaritanont,Thomayant;Freidinger,RogerM.;Bock,MarkG.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#11,p.3006-3009]

137218-25-8   
2-(1,1,2,2-Tetrafluoroethoxy)phenylacetonitrile 
 
2-(1,1,2,2-tetrafluoroethoxy)phenylaceticacid 

[1]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

198649-68-2   
EtOAc-hexanes 
  137218-25-8 

[1]CurrentPatentAssignee:MERCK&COINC-US5968938,1999,A

[2]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

137218-25-8    220239-67-8 

[1]CurrentPatentAssignee:MERCK&COINC-US5968938,1999,A

[2]CurrentPatentAssignee:MERCK&COINC-US6090805,2000,A

137218-25-8    106-95-6    636597-84-7 

[1]CurrentPatentAssignee:RECORDATISPA-WO2003/106443,2003,A1Locationinpatent:Page38

[2]CurrentPatentAssignee:RECORDATISPA-US2004/72839,2004,A1Locationinpatent:Page/Pagecolumn21

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