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1005-56-7,MFCD00004920
Catalog No.:AA00022R

1005-56-7 | Phenyl chlorothionocarbonate

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1g
95%
in stock  
$11.00   $8.00
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5g
95%
in stock  
$23.00   $16.00
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10g
95%
in stock  
$28.00   $20.00
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25g
95%
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$68.00   $48.00
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100g
95%
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$271.00   $190.00
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500g
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$662.00   $464.00
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  • 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:
AA00022R
Chemical Name:
Phenyl chlorothionocarbonate
CAS Number:
1005-56-7
Molecular Formula:
C7H5ClOS
Molecular Weight:
172.6320
MDL Number:
MFCD00004920
SMILES:
ClC(=S)Oc1ccccc1
NSC Number:
99103
Properties
Computed Properties
 
Complexity:
121  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1983,vol.105,#12,p.4059-4065

[2]Tetrahedron,1992,vol.48,#36,p.7435-7446

[3]Synthesis,2000,#3,p.399-402

[4]JournalofOrganicChemistry,2004,vol.69,#24,p.8219-8223

[5]JournalofFluorineChemistry,1984,vol.24,p.485-502

[6]JustusLiebigsAnnalenderChemie,1971,vol.752,p.115-135

[7]DiePharmazie,1963,vol.18,p.544-549

[8]TetrahedronLetters,1989,vol.30,#20,p.2619-2622

[9]EuropeanJournalofOrganicChemistry,2001,#10,p.1959-1962

[10]Chemistry-AEuropeanJournal,2010,vol.16,#26,p.7683-7687

[11]JournalofOrganicChemistry,2011,vol.76,#6,p.1521-1537

[12]Patent:US2011/237798,2011,A1,.Locationinpatent:Page/Pagecolumn14-15;16

[13]GreenChemistry,2012,vol.14,#8,p.2256-2265

[14]JournaloftheAmericanChemicalSociety,2013,vol.135,#4,p.1577-1584

[1]BulletindelaSocieteChimiquedeFrance,1906,vol.<3>35,p.839

[2]BulletindelaSocieteChimiquedeFrance,1907,vol.<4>1,p.739Anm.

Downstream Synthesis Route

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-DE948152,1954,C

[1]Kleinpeter,E.etal.[JournalfurpraktischeChemie(Leipzig1954),1978,vol.320,p.279-282]

[1]Honkanen,E.[ActaChemicaScandinavica(1947),1970,vol.24,p.1120-1122]

[1]ActaChemicaScandinavica(1947),1970,vol.24,p.1120-1122

[1]Graubaum,Heinz;Seeboth,Helmuth;Zalupsky,Peter[MonatsheftefurChemie,1989,vol.120,p.997-1002]

Literature

Title: Correlation of the rates of solvolysis of i-butyl fluoroformate and a consideration of leaving-group effects.

Journal: International journal of molecular sciences 20110101

Title: Use of empirical correlations to determine solvent effects in the solvolysis of S-methyl chlorothioformate.

Journal: International journal of molecular sciences 20100101

Title: Analysis of the nucleophilic solvation effects in isopropyl chlorothioformate solvolysis.

Journal: International journal of molecular sciences 20100101

Title: Grunwald-Winstein analysis: isopropyl chloroformate solvolysis revisited.

Journal: International journal of molecular sciences 20090301

Title: Corrrelation of the specific rates of solvolysis of ethyl fluoroformate using the extended Grunwald-Winstein equation.

Journal: International journal of molecular sciences 20090301

Title: Reduction of ribonucleosides to 2'-deoxyribonucleosides.

Journal: Current protocols in nucleic acid chemistry 20050701

Title: Regioselective synthesis of alditol vicinal bis-cyclic thionocarbonates via alditol stannylene acetal complexes as a short and efficient route to alpha,omega-diiodoalditol derivatives.

Journal: Carbohydrate research 20020107

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