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Home Carboxes 2011-09-8
2011-09-8,MFCD17015364
Catalog No.:AA00BPID

2011-09-8 | 4,5-Dichloro-2-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$112.00   $78.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BPID
Chemical Name:
4,5-Dichloro-2-nitrobenzoic acid
CAS Number:
2011-09-8
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD17015364
SMILES:
OC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Cl
Properties
Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Ruggli;Zaeslin[HelveticaChimicaActa,1936,vol.19,p.434,437]

[1]Ruggli;Zaeslin[HelveticaChimicaActa,1936,vol.19,p.434,437]

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2007/117161,2007,A1Locationinpatent:Page/Pagecolumn27

methyl4,5-dichloro-2-nitrobenzoate 
  2011-09-8 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2004/224983,2004,A1Locationinpatent:Page25

[2]Allison,BrettD.;Phuong,VictorK.;McAtee,LauraC.;Rosen,Mark;Morton,Magda;Prendergas,Clodagh;Barrett,Terry;Lagaud,Guy;Freedman,Jamie;Li,Na;Wu,Xiaodong;Venkatesan,Hariharan;Pippel,Marna;Woods,Craig;Rizzolio,MichèleC.;Hack,Michael;Hoey,Kenway;Deng,Xiaohu;King,Christopher;Shankley,NigelP.;Rabinowitz,MichaelH.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6371-6390]

[1]Allison,BrettD.;Phuong,VictorK.;McAtee,LauraC.;Rosen,Mark;Morton,Magda;Prendergas,Clodagh;Barrett,Terry;Lagaud,Guy;Freedman,Jamie;Li,Na;Wu,Xiaodong;Venkatesan,Hariharan;Pippel,Marna;Woods,Craig;Rizzolio,MichèleC.;Hack,Michael;Hoey,Kenway;Deng,Xiaohu;King,Christopher;Shankley,NigelP.;Rabinowitz,MichaelH.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6371-6390]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2004/224983,2004,A1Locationinpatent:Page25

Literature
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Tags:2011-09-8 Molecular Formula|2011-09-8 MDL|2011-09-8 SMILES|2011-09-8 4,5-Dichloro-2-nitrobenzoic acid