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60032-95-3,MFCD00079727
Catalog No.:AA00ECST

60032-95-3 | 2-Chloro-4,5-dimethoxybenzoic acid

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Purity
Availability
Price(USD)
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250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$26.00   $18.00
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5g
98%
in stock  
$61.00   $43.00
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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:
AA00ECST
Chemical Name:
2-Chloro-4,5-dimethoxybenzoic acid
CAS Number:
60032-95-3
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD00079727
SMILES:
COc1cc(C(=O)O)c(cc1OC)Cl
Properties
Properties
 
Form:
Solid  
MP:
183-185°C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2  

Downstream Synthesis Route

[1]Tomitaetal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1956,vol.76,p.1122,1125][Chem.Abstr.,1957,p.3505]

[1]JournalofOrganicChemistry,1943,vol.8,p.358,363,365

[1]Gilligan,PaulJ.;Folmer,BeverlyK.;Hartz,RichardA.;Koch,Stephanie;Nanda,KausikK.;Andreuski,Stephen;Fitzgerald,Lawrence;Miller,Keith;Marshall,WilliamJ.[BioorganicandMedicinalChemistry,2003,vol.11,#18,p.4093-4102]

[2]Lowe,RichardF.;Nelson,Jodene;Dang,TrunghauN.;Crowe,PaulD.;Pahuja,Anil;McCarthy,JamesR.;Grigoriadis,DimitriE.;Conlon,Paul;Saunders,John;Chen,Chen;Szabo,Thomas;Chen,TaKung;Bozigian,Haig[JournalofMedicinalChemistry,2005,vol.48,#5,p.1540-1549]

[3]Locationinpatent:experimentalpartBland,NicholasD.;Wang,Cuihua;Tallman,Craig;Gustafson,AldenE.;Wang,Zhouxi;Ashton,TrentD.;Ochiana,StefanO.;McAllister,Gregory;Cotter,Kristina;Fang,AnnaP.;Gechijian,Lara;Garceau,Norman;Gangurde,Rajiv;Ortenberg,Ron;Ondrechen,MaryJo;Campbell,RobertK.;Pollastri,MichaelP.[JournalofMedicinalChemistry,2011,vol.54,#23,p.8188-8194]

[4]Schrader,FlorianC.;Glinca,Serghei;Sattler,JuliaM.;Dahse,Hans-Martin;Afanador,GustavoA.;Prigge,SeanT.;Lanzer,Michael;Mueller,Ann-Kristin;Klebe,Gerhard;Schlitzer,Martin[ChemMedChem,2013,vol.8,#3,p.442-461]

[1]Piazzi,Lorna;Cavalli,Andrea;Belluti,Federica;Bisi,Alessandra;Gobbi,Silvia;Rizzo,Stefano;Bartolini,Manuela;Andrisano,Vincenza;Recanatini,Maurizio;Rampa,Angela[JournalofMedicinalChemistry,2007,vol.50,#17,p.4250-4254]

Literature
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SDS
Tags:60032-95-3 Molecular Formula|60032-95-3 MDL|60032-95-3 SMILES|60032-95-3 2-Chloro-4,5-dimethoxybenzoic acid