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1851-09-8,MFCD00045626
Catalog No.:AA003L5D

1851-09-8 | 4-Chlorophenylsulfonylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>96.0%
in stock  
$106.00   $74.00
- +
5g
>96.0%
in stock  
$191.00   $134.00
- +
25g
>96.0%
in stock  
$581.00   $407.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003L5D
Chemical Name:
4-Chlorophenylsulfonylacetonitrile
CAS Number:
1851-09-8
Molecular Formula:
C8H6ClNO2S
Molecular Weight:
215.6567
MDL Number:
MFCD00045626
SMILES:
N#CCS(=O)(=O)c1ccc(cc1)Cl
Properties
Properties
 
BP:
421.2°C at 760 mmHg  
Form:
Solid  
MP:
168-172 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
303  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route
1851-09-8    80410-57-7   
α-(4-chloro-benzenesulfonyl)-3-methoxy-4-nitro-cinnamonitrile 

[1]JournalfurpraktischeChemie(Leipzig1954),1925,vol.<2>111,p.230

[1]Shishoo,C.J.;Devani,M.B.;Bhadti,V.S;Jain,K.S.;Ananthan,S.[JournalofHeterocyclicChemistry,1990,vol.27,#2,p.119-126]

[1]Shishoo;Devani;Bhadti;Jain;Rathod;Goyal;Gandhi;Patel;Naik[Arzneimittel-Forschung/DrugResearch,1990,vol.40,#5,p.567-572]

[2]Shishoo,C.J.;Devani,M.B.;Pathak,U.S.;Ananthan,S.;Bhadti,V.S.;etal.[JournalofHeterocyclicChemistry,1984,vol.21,p.375-380]

[1]Lazukina,L.A.;Mushkalo,I.L.;Neplyuev,V.M.;Kukhar',V.P.[JournalofOrganicChemistryUSSR(EnglishTranslation),1983,p.2114-2117][ZhurnalOrganicheskoiKhimii,1983,vol.19,#11,p.2417-2420]

[1]Ross;SowellSr.[JournalofHeterocyclicChemistry,1987,vol.24,#3,p.757-765]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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