Name: Name:2-Bromo-5-methylsulfonylnitrobenzene
Brand: AABLOCKS
SKU: AA005UBF
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA005UBF

Chemical Name: 2-Bromo-5-methylsulfonylnitrobenzene

CAS Number: 94832-06-1

Molecular Formula: C7H6BrNO4S

Molecular Weight: 280.0958

MDL Number: MFCD00054605

SMILES: [O-][N+](=O)c1cc(ccc1Br)S(=O)(=O)C

Properties

BP: 392.5 °C at 760 mmHg

Form: Solid

MP: 114-117 °C

Storage: Keep in dry area;Room Temperature;

Complexity: 318

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.7

Downstream Synthesis Route

94832-06-1

942474-24-0

[1]Patent:US9408907,2016,B2.Locationinpatent:Page/Pagecolumn64

[2]Patent:WO2009/111337,2009,A1.Locationinpatent:Page/Pagecolumn169-170

94832-06-1

1200575-51-4

1200572-69-5

[1]CurrentPatentAssignee:KANCERAAB-WO2009/150144,2009,A1Locationinpatent:Page/Pagecolumn96-97

94832-06-1

(E)-propenylboronicacid

1240287-20-0

[1]CurrentPatentAssignee:MERCKKGAA-WO2010/92043,2010,A1Locationinpatent:Page/Pagecolumn85

[2]Crosignani,Stefano;Prêtre,Adeline;Jorand-Lebrun,Catherine;Fraboulet,Gaële;Seenisamy,Jeyaprakashnarayanan;Augustine,JohnKallikat;Missotten,Marc;Humbert,Yves;Cleva,Christophe;Abla,Nada;Daff,Hamina;Schott,Olivier;Schneider,Manfred;Burgat-Charvillon,Fabienne;Rivron,Delphine;Hamernig,Ingrid;Arrighi,Jean-François;Gaudet,Marilène;Zimmerli,SimoneC.;Juillard,Pierre;Johnson,Zoe[JournalofMedicinalChemistry,2011,vol.54,#20,p.7299-7317]

94832-06-1

1240287-23-3

[1]Crosignani,Stefano;Prêtre,Adeline;Jorand-Lebrun,Catherine;Fraboulet,Gaële;Seenisamy,Jeyaprakashnarayanan;Augustine,JohnKallikat;Missotten,Marc;Humbert,Yves;Cleva,Christophe;Abla,Nada;Daff,Hamina;Schott,Olivier;Schneider,Manfred;Burgat-Charvillon,Fabienne;Rivron,Delphine;Hamernig,Ingrid;Arrighi,Jean-François;Gaudet,Marilène;Zimmerli,SimoneC.;Juillard,Pierre;Johnson,Zoe[JournalofMedicinalChemistry,2011,vol.54,#20,p.7299-7317]

94832-06-1

1240287-21-1

[1]Crosignani,Stefano;Prêtre,Adeline;Jorand-Lebrun,Catherine;Fraboulet,Gaële;Seenisamy,Jeyaprakashnarayanan;Augustine,JohnKallikat;Missotten,Marc;Humbert,Yves;Cleva,Christophe;Abla,Nada;Daff,Hamina;Schott,Olivier;Schneider,Manfred;Burgat-Charvillon,Fabienne;Rivron,Delphine;Hamernig,Ingrid;Arrighi,Jean-François;Gaudet,Marilène;Zimmerli,SimoneC.;Juillard,Pierre;Johnson,Zoe[JournalofMedicinalChemistry,2011,vol.54,#20,p.7299-7317]

94832-06-1 | 2-Bromo-5-methylsulfonylnitrobenzene