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Home Fluorides 1034690-61-3
1034690-61-3,MFCD18398157
Catalog No.:AA0096H1

1034690-61-3 | 3-Iodo-4-(trifluoromethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$31.00   $22.00
- +
1g
97%
in stock  
$47.00   $33.00
- +
5g
97
in stock  
$81.00   $57.00
- +
25g
97
in stock  
$132.00   $93.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0096H1
Chemical Name:
3-Iodo-4-(trifluoromethyl)benzoic acid
CAS Number:
1034690-61-3
Molecular Formula:
C8H4F3IO2
Molecular Weight:
316.0158
MDL Number:
MFCD18398157
SMILES:
OC(=O)c1ccc(c(c1)I)C(F)(F)F
Properties
Computed Properties
 
Complexity:
229  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3  

Downstream Synthesis Route

[1]Patent:US2008/200454,2008,A1.Locationinpatent:Page/Pagecolumn48

[2]EuropeanJournalofOrganicChemistry,2018,vol.2018,p.3701-3704

[3]Patent:WO2008/74821,2008,A1.Locationinpatent:Page/Pagecolumn92-93

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/74821,2008,A1Locationinpatent:Page/Pagecolumn93

1034690-61-3   
C8H3ClF3IO 

[1]Liu,Yang;Peng,Xia;Guan,Xiaocong;Lu,Dong;Xi,Yong;Jin,Shiyu;Chen,Hui;Zeng,Limin;Ai,Jing;Geng,Meiyu;Hu,Youhong[EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132]

[2]Jakobsson,JimmyErik;Grønnevik,Gaute;Rafique,Waqas;Hartvig,Karoline;Riss,PatrickJohannes[EuropeanJournalofOrganicChemistry,2018,vol.2018,#27,p.3701-3704]

[3]CurrentPatentAssignee:SUNESISPHARMACEUTICALSINC-US2008/200454,2008,A1Locationinpatent:Page/Pagecolumn48

1034690-61-3   
C21H20F6IN3O 

[1]Liu,Yang;Peng,Xia;Guan,Xiaocong;Lu,Dong;Xi,Yong;Jin,Shiyu;Chen,Hui;Zeng,Limin;Ai,Jing;Geng,Meiyu;Hu,Youhong[EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132]

1034690-61-3   
3-(isoquinolin-4-ylethynyl)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-(trifluoromethyl)benzamide 

[1]Liu,Yang;Peng,Xia;Guan,Xiaocong;Lu,Dong;Xi,Yong;Jin,Shiyu;Chen,Hui;Zeng,Limin;Ai,Jing;Geng,Meiyu;Hu,Youhong[EuropeanJournalofMedicinalChemistry,2017,vol.126,p.122-132]

Literature
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SDS
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Tags:1034690-61-3 Molecular Formula|1034690-61-3 MDL|1034690-61-3 SMILES|1034690-61-3 3-Iodo-4-(trifluoromethyl)benzoic acid