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82651-72-7,MFCD06797158
Catalog No.:AA003F1B

82651-72-7 | 2-(Benzenesulfonylmethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$78.00   $54.00
- +
5g
95%
in stock  
$333.00   $234.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003F1B
Chemical Name:
2-(Benzenesulfonylmethyl)benzonitrile
CAS Number:
82651-72-7
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
MDL Number:
MFCD06797158
SMILES:
N#Cc1ccccc1CS(=O)(=O)c1ccccc1
Properties
Properties
 
BP:
480.859°C at 760 mmHg  
Form:
Solid  
MP:
154.0 to 158.0℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
409  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

[1]Orita,Akihiro;Hasegawa,Daiki;Nakano,Takehiko;Otera,Junzo[Chemistry-AEuropeanJournal,2002,vol.8,#9,p.2000-2004]

[2]Xu,Feng;Peng,Lifen;Shinohara,Kenta;Morita,Takamoto;Yoshida,Suguru;Hosoya,Takamitsu;Orita,Akihiro;Otera,Junzo[JournalofOrganicChemistry,2014,vol.79,#23,p.11592-11608]

[3]Sutton,DeweyA.;Yu,Seok-Ho;Steet,Richard;Popik,VladimirV.[ChemicalCommunications,2016,vol.52,#3,p.553-556]

[4]Yao,Kezi;Bertran,Arnau;Howarth,Alison;Goicoechea,JoseM.;Hare,SamuelM.;Rees,NicholasH.;Foroozandeh,Mohammadali;Bowen,AliceM.;Farrer,NicolaJ.[ChemicalCommunications,2019,vol.55,#75,p.11287-11290]

[5]CurrentPatentAssignee:LTSAMBOCOLTD-KR101667369,2016,B1Locationinpatent:Paragraph0138;0141-0142

[1]Sutton,DeweyA.;Yu,Seok-Ho;Steet,Richard;Popik,VladimirV.[ChemicalCommunications,2016,vol.52,#3,p.553-556]

[2]Orita,Akihiro;Hasegawa,Daiki;Nakano,Takehiko;Otera,Junzo[Chemistry-AEuropeanJournal,2002,vol.8,#9,p.2000-2004]

[3]Yao,Kezi;Bertran,Arnau;Howarth,Alison;Goicoechea,JoseM.;Hare,SamuelM.;Rees,NicholasH.;Foroozandeh,Mohammadali;Bowen,AliceM.;Farrer,NicolaJ.[ChemicalCommunications,2019,vol.55,#75,p.11287-11290]

[4]Xiao,Fuhong;Hu,Yangling;Huang,Huawen;Xu,Fen;Deng,Guo-Jun[OrganicandBiomolecularChemistry,2020,vol.18,#18,p.3527-3535]

Literature
Quotation Request
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SDS
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Tags:82651-72-7 Molecular Formula|82651-72-7 MDL|82651-72-7 SMILES|82651-72-7 2-(Benzenesulfonylmethyl)benzonitrile
Catalog No.: AA003F1B
82651-72-7,MFCD06797158
82651-72-7 | 2-(Benzenesulfonylmethyl)benzonitrile
Pack Size： 1g
Purity： 95%
in stock
$78.00 $54.00
Pack Size： 5g
Purity： 95%
in stock
$333.00 $234.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003F1B
Chemical Name: 2-(Benzenesulfonylmethyl)benzonitrile
CAS Number: 82651-72-7
Molecular Formula: C14H11NO2S
Molecular Weight: 257.3076
MDL Number: MFCD06797158
SMILES: N#Cc1ccccc1CS(=O)(=O)c1ccccc1
Properties
BP: 480.859°C at 760 mmHg  
Form: Solid  
MP: 154.0 to 158.0℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 409  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
2949-92-0    82651-72-7    129527-26-0 

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

2949-92-0    82651-72-7    129527-27-1 

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

92164-25-5    82651-72-7 

[1]Wladislaw,B.;Marzorati,L.;Ebeling,G.[Phosphorus,SulfurandSiliconandtheRelatedElements,1990,vol.48,#1-4,p.163-167]

82651-72-7    468751-38-4 

[1]Orita,Akihiro;Hasegawa,Daiki;Nakano,Takehiko;Otera,Junzo[Chemistry-AEuropeanJournal,2002,vol.8,#9,p.2000-2004]

[2]Xu,Feng;Peng,Lifen;Shinohara,Kenta;Morita,Takamoto;Yoshida,Suguru;Hosoya,Takamitsu;Orita,Akihiro;Otera,Junzo[JournalofOrganicChemistry,2014,vol.79,#23,p.11592-11608]

[3]Sutton,DeweyA.;Yu,Seok-Ho;Steet,Richard;Popik,VladimirV.[ChemicalCommunications,2016,vol.52,#3,p.553-556]

[4]Yao,Kezi;Bertran,Arnau;Howarth,Alison;Goicoechea,JoseM.;Hare,SamuelM.;Rees,NicholasH.;Foroozandeh,Mohammadali;Bowen,AliceM.;Farrer,NicolaJ.[ChemicalCommunications,2019,vol.55,#75,p.11287-11290]

[5]CurrentPatentAssignee:LTSAMBOCOLTD-KR101667369,2016,B1Locationinpatent:Paragraph0138;0141-0142

873-55-2    22115-41-9    82651-72-7 

[1]Sutton,DeweyA.;Yu,Seok-Ho;Steet,Richard;Popik,VladimirV.[ChemicalCommunications,2016,vol.52,#3,p.553-556]

[2]Orita,Akihiro;Hasegawa,Daiki;Nakano,Takehiko;Otera,Junzo[Chemistry-AEuropeanJournal,2002,vol.8,#9,p.2000-2004]

[3]Yao,Kezi;Bertran,Arnau;Howarth,Alison;Goicoechea,JoseM.;Hare,SamuelM.;Rees,NicholasH.;Foroozandeh,Mohammadali;Bowen,AliceM.;Farrer,NicolaJ.[ChemicalCommunications,2019,vol.55,#75,p.11287-11290]

[4]Xiao,Fuhong;Hu,Yangling;Huang,Huawen;Xu,Fen;Deng,Guo-Jun[OrganicandBiomolecularChemistry,2020,vol.18,#18,p.3527-3535]

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Historical Records
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1388032-50-5
1388032-50-5
1327520-07-9
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