Home Fluorides 861905-94-4
861905-94-4,MFCD16622791
Catalog No.:AA004SNW

861905-94-4 | 3-Fluoro-5-iodo-4-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$27.00   $19.00
- +
1g
95%
in stock  
$98.00   $69.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004SNW
Chemical Name:
3-Fluoro-5-iodo-4-methylbenzoic acid
CAS Number:
861905-94-4
Molecular Formula:
C8H6FIO2
Molecular Weight:
280.0349
MDL Number:
MFCD16622791
SMILES:
OC(=O)c1cc(F)c(c(c1)I)C
Properties
Properties
 
BP:
347.6±42.0°C at 760 mmHg  
Form:
Solid  
Storage:
2-8℃;Light sensitive;  

Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/147103,2007,A2Locationinpatent:Page/Pagecolumn121

[1]CurrentPatentAssignee:ALMIRALLSA-WO2011/57757,2011,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/104915,2006,A2

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/147103,2007,A2Locationinpatent:Page/Pagecolumn122

[4]CurrentPatentAssignee:ALMIRALLSA-WO2008/107125,2008,A1

[1]Patent:WO2007/339,2007,A1.Locationinpatent:Page/Pagecolumn53

[2]Patent:CN108884057,2018,A.Locationinpatent:Paragraph0139;0203;0204;0210-0214

[3]JournalofMedicinalChemistry,2009,vol.52,p.6257-6269

[4]Patent:WO2006/134382,2006,A1.Locationinpatent:Page/Pagecolumn26-27

[5]Patent:EP2108641,2009,A1.Locationinpatent:Page/Pagecolumn58

[6]Patent:EP2322176,2011,A1.Locationinpatent:Page/Pagecolumn22

[7]Patent:WO2011/57757,2011,A1.Locationinpatent:Page/Pagecolumn38

[8]Patent:WO2006/110173,2006,A2.Locationinpatent:Page/Pagecolumn64-65;76-77

[9]Patent:WO2005/73189,2005,A1.Locationinpatent:Page/Pagecolumn36-37

[10]Patent:WO2005/73189,2005,A1.Locationinpatent:Page/Pagecolumn66-57

[11]Patent:WO2006/104917,2006,A2.Locationinpatent:Page/Pagecolumn76-77

[12]Patent:WO2008/71664,2008,A1.Locationinpatent:Page/Pagecolumn6;7;19;20

[13]Patent:WO2008/71665,2008,A1.Locationinpatent:Page/Pagecolumn19-20

[14]Patent:WO2003/93248,2003,A1.Locationinpatent:Page/Pagecolumn36

[15]Patent:WO2005/14550,2005,A1.Locationinpatent:Page/Pagecolumn31

[16]Patent:WO2005/73219,2005,A1.Locationinpatent:Page/Pagecolumn35

[17]Patent:WO2005/73232,2005,A1.Locationinpatent:Page/Pagecolumn44

[18]Patent:WO2006/104915,2006,A2.Locationinpatent:Page/Pagecolumn138

[19]Patent:WO2007/147104,2007,A2.Locationinpatent:Page/Pagecolumn74-75

[20]Patent:WO2008/107125,2008,A1.Locationinpatent:Page/Pagecolumn40

[21]Patent:WO2006/134382,2006,A1.Locationinpatent:Page/Pagecolumn21

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/73189,2005,A1Locationinpatent:Page/Pagecolumn45;49-50;52

[2]CurrentPatentAssignee:PALAUPHARMASA-WO2007/339,2007,A1Locationinpatent:Page/Pagecolumn53

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/71665,2008,A1Locationinpatent:Page/Pagecolumn20;23

[4]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2003/93248,2003,A1Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/14550,2005,A1Locationinpatent:Page/Pagecolumn31

[6]Locationinpatent:experimentalpartAston,NicolaM.;Bamborough,Paul;Buckton,JacquelineB.;Edwards,ChristopherD.;Holmes,DuncanS.;Jones,KatherineL.;Patel,VipulkumarK.;Smee,PennyA.;Somers,DonaldO.;Vitulli,Giovanni;Walker,AnnL.[JournalofMedicinalChemistry,2009,vol.52,#20,p.6257-6269]

[7]CurrentPatentAssignee:ALMIRALLSA-WO2011/57757,2011,A1Locationinpatent:Page/Pagecolumn32-33

[8]CurrentPatentAssignee:CSPCPHARMACEUTICALGROUPLIMITED-EP3357916,2018,A1Locationinpatent:Paragraph0073;0074

[9]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/104915,2006,A2Locationinpatent:Page/Pagecolumn138

[10]CurrentPatentAssignee:ALMIRALLSA-WO2008/107125,2008,A1Locationinpatent:Page/Pagecolumn40

[11]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/134382,2006,A1Locationinpatent:Page/Pagecolumn22;24

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/73189,2005,A1Locationinpatent:Page/Pagecolumn53

Literature
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SDS
Tags:861905-94-4 Molecular Formula|861905-94-4 MDL|861905-94-4 SMILES|861905-94-4 3-Fluoro-5-iodo-4-methylbenzoic acid