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36157-40-1,MFCD00014522
Catalog No.:AA003IQA

36157-40-1 | 3-Acetyl-2,5-dichlorothiophene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$13.00   $9.00
- +
25g
98%(GC)
in stock  
$24.00   $17.00
- +
50g
95%
in stock  
$35.00   $25.00
- +
100g
98%
in stock  
$41.00   $29.00
- +
500g
98%
in stock  
$200.00   $140.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003IQA
Chemical Name:
3-Acetyl-2,5-dichlorothiophene
CAS Number:
36157-40-1
Molecular Formula:
C6H4Cl2OS
Molecular Weight:
195.0664
MDL Number:
MFCD00014522
SMILES:
Clc1sc(c(c1)C(=O)C)Cl
Properties
Properties
 
BP:
233.9°C at 760 mmHg  
Form:
Solid  
MP:
37-40 °C(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.2  

Upstream Synthesis Route

[1]ChemistryofHeterocyclicCompounds(NewYork,NY,UnitedStates),1982,vol.18,#2,p.130-133

[2]KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#2,p.171-175

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.3096

[2]MonatsheftefurChemie,2008,vol.139,#10,p.1251-1255

[1]OrganicProcessResearchandDevelopment,1999,vol.3,#2,p.114-120

Downstream Synthesis Route

[1]JournalofChemicalCrystallography,2016,vol.46,p.331-340

[2]JournalofStructuralChemistry,2018,vol.59,p.1440-1445    Zh.Strukt.Kim.,2018,vol.59,p.1493-1498,6

[3]ChemistryofHeterocyclicCompounds,1982,vol.18,p.130-133    KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,p.171-175

[4]JustusLiebigsAnnalenderChemie,1937,vol.532,p.250,279

[5]MonatsheftefurChemie,2008,vol.139,p.1251-1255

[6]AsianJournalofChemistry,2015,vol.27,p.725-728

[7]Phosphorus,SulfurandSiliconandtheRelatedElements,2017,vol.192,p.560-564

[8]Molecules,2019,vol.24

[1]Bachman;Heisey[JournaloftheAmericanChemicalSociety,1948,vol.70,p.2378]

[2]Locationinpatent:experimentalpartStepanenko,Viatcheslav;DeJesus,Melvin;Correa,Wildeliz;Bermudez,Lorianne;Vazquez,Cindybeth;Guzman,Irisbel;Ortiz-Marciales,Margarita[TetrahedronAsymmetry,2009,vol.20,#23,p.2659-2665]

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.3096

[2]MonatsheftefurChemie,2008,vol.139,p.1251-1255

[1]Stanetty,Peter;Puschautz,Erhard;Friedbacher,Gernot[MonatsheftefurChemie,1989,vol.120,p.53-63]

[1]El-Abadelah,MustafaM.;Kamal,MarwanR.;Tokan,WajdiM.;Jarrar,Shua'aO.[AdvancedSynthesisandCatalysis,1997,vol.339,#3,p.284-287]

[2]El-Abadelah,MustafaM.;Sabri,SalimS.;Al-Ashqar,HaneenA.[Heterocycles,1997,vol.45,#2,p.255-264]

[3]Locationinpatent:experimentalpartSweidan,NuhaI.;Nazer,MusaZ.;Mustafa;Voelter,Wolfgang[LettersinOrganicChemistry,2010,vol.7,#1,p.79-84]

Literature

Title: (E)-1-(2,5-Dichloro-thio-phen-3-yl)ethan-one [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: (E)-1-(2,5-Dichloro-3-thien-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: 1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds.

Journal: Acta crystallographica. Section E, Structure reports online 20101001

Title: (Z)-1-(2,5-Dichloro-3-thien-yl)ethanone semicarbazone.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: Synthesis and antimicrobial evaluation of new chalcones containing piperazine or 2,5-dichlorothiophene moiety.

Journal: Bioorganic & medicinal chemistry letters 20071001

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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