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Home Fluorides 102422-55-9
102422-55-9,MFCD07779315
Catalog No.:AA0007DD

102422-55-9 | 4-(Trifluoromethyl)benzyl isocyanate

Pack Size
Purity
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Price(USD)
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1g
97%
in stock  
$52.00   $36.00
- +
5g
97%
in stock  
$245.00   $171.00
- +
10g
97%
in stock  
$394.00   $276.00
- +
25g
97%
in stock  
$760.00   $532.00
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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:
AA0007DD
Chemical Name:
4-(Trifluoromethyl)benzyl isocyanate
CAS Number:
102422-55-9
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD07779315
SMILES:
O=C=NCc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Groutas,W.C.;Brubaker,M.J.;Zandler,M.E.;Mazo-Gray,V.;Rude,S.A.;etal.[JournalofMedicinalChemistry,1986,vol.29,#7,p.1302-1305]

[1]Groutas,W.C.;Brubaker,M.J.;Zandler,M.E.;Mazo-Gray,V.;Rude,S.A.;etal.[JournalofMedicinalChemistry,1986,vol.29,#7,p.1302-1305]

[2]Stark,Holger;Purand,Katja;Ligneau,Xavier;Rouleau,Agnès;Arrang,Jean-Michel;Garbarg,Monique;Schwartz,Jean-Charles;Schunack,Walter[JournalofMedicinalChemistry,1996,vol.39,#5,p.1157-1163]

102422-55-9   
3-(1H-imidazol-4-yl)-propan-1-olhydrochloride 
 
3-(1H-Imidazol-4-yl)propylN-(4-trifluoromethylbenzyl)carbamate 

[1]Stark,Holger;Purand,Katja;Ligneau,Xavier;Rouleau,Agnès;Arrang,Jean-Michel;Garbarg,Monique;Schwartz,Jean-Charles;Schunack,Walter[JournalofMedicinalChemistry,1996,vol.39,#5,p.1157-1163]

1125-60-6    102422-55-9   
A-425619 

[1]Jetter,MicheleC.;Youngman,MarkA.;McNally,JamesJ.;Zhang,Sui-Po;Dubin,AdrienneE.;Nasser,Nadia;Dax,ScottL.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#12,p.3053-3056]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2004/7459,2004,A2Locationinpatent:Page137

[1]Groutas,W.C.;Brubaker,M.J.;Zandler,M.E.;Mazo-Gray,V.;Rude,S.A.;etal.[JournalofMedicinalChemistry,1986,vol.29,#7,p.1302-1305]

Literature
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SDS
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Tags:102422-55-9 Molecular Formula|102422-55-9 MDL|102422-55-9 SMILES|102422-55-9 4-(Trifluoromethyl)benzyl isocyanate