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4300-43-0,MFCD00171464
Catalog No.:AA00CIME

4300-43-0 | 3,3',4,4'-Tetrachlorocarbanilide

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250mg
95%
in stock  
$25.00   $18.00
- +
1g
95%
in stock  
$65.00   $46.00
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5g
95%
in stock  
$182.00   $128.00
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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:
AA00CIME
Chemical Name:
3,3',4,4'-Tetrachlorocarbanilide
CAS Number:
4300-43-0
Molecular Formula:
C13H8Cl4N2O
Molecular Weight:
350.0274
MDL Number:
MFCD00171464
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)Cl)Cl
Properties
Computed Properties
 
Complexity:
314  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
6  

Downstream Synthesis Route

[1]McElroy,NathanR.;Jurs,PeterC.;Morisseau,Christophe;Hammock,BruceD.[JournalofMedicinalChemistry,2003,vol.46,#6,p.1066-1080]

[2]CurrentPatentAssignee:HARVARDUNIVERSITY-US9421211,2016,B2Locationinpatent:Page/Pagecolumn116;120

[3]Denoyelle,Séverine;Chen,Ting;Chen,Limo;Wang,Yibo;Klosi,Edvin;Halperin,JoséA.;Aktas,BertalH.;Chorev,Michael[BioorganicandMedicinalChemistryLetters,2012,vol.22,#1,p.402-409]

[4]Beaveretal.[JournaloftheAmericanChemicalSociety,1957,vol.79,p.1236,1242][JournalofOrganicChemistry,1959,vol.24,p.1676]

[1]Chimishkyan,A.L.;Svetlova,L.P.;Leonova,T.V.;Gluyaev,N.D.[JournalofgeneralchemistryoftheUSSR,1984,vol.54,#7,p.1317-1320][ZhurnalObshcheiKhimii,1984,vol.54,#7,p.1477-1481]

[1]Cegan,Alexandr;Vecera,Miroslav[CollectionofCzechoslovakChemicalCommunications,1984,vol.49,#6,p.1521-1528]

[1]Cegan,Alexandr;Vecera,Miroslav[CollectionofCzechoslovakChemicalCommunications,1984,vol.49,#6,p.1521-1528]

[1]Chimishkyan,A.L.;Svetlova,L.P.;Leonova,T.V.;Gluyaev,N.D.[JournalofgeneralchemistryoftheUSSR,1984,vol.54,#7,p.1317-1320][ZhurnalObshcheiKhimii,1984,vol.54,#7,p.1477-1481]

Literature

Title: Simultaneous determination of triclosan, triclocarban, and transformation products of triclocarban in aqueous samples using solid-phase micro-extraction-HPLC-MS/MS.

Journal: Journal of separation science 20121001

Title: Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability.

Journal: Bioorganic & medicinal chemistry 20120515

Title: In vitro inhibition of translation initiation by N,N'-diarylureas--potential anti-cancer agents.

Journal: Bioorganic & medicinal chemistry letters 20120101

Title: Detection of triclocarban and two co-contaminating chlorocarbanilides in US aquatic environments using isotope dilution liquid chromatography tandem mass spectrometry.

Journal: Environmental research 20070101

Title: QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds.

Journal: Journal of medicinal chemistry 20030313

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SDS
Tags:4300-43-0 Molecular Formula|4300-43-0 MDL|4300-43-0 SMILES|4300-43-0 3,3',4,4'-Tetrachlorocarbanilide