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88-86-8,MFCD00014691
Catalog No.:AA004A1K

88-86-8 | 2,5-Dichloro-3-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$19.00   $14.00
- +
1g
95%
in stock  
$36.00   $25.00
- +
5g
95%
in stock  
$67.00   $47.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004A1K
Chemical Name:
2,5-Dichloro-3-nitrobenzoic acid
CAS Number:
88-86-8
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD00014691
SMILES:
Clc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Cl
Properties
Properties
 
BP:
366.5 °C at 760 mmHg  
Form:
Solid  
MP:
216-220 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

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:
3.3  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1992,vol.57,p.97-100

[1]Rewcastle;Denny;Baguley[JournalofMedicinalChemistry,1987,vol.30,#5,p.843-851]

[1]Breslin;Kukla;Ludovici;Mohrbacher;Ho;Miranda;Rodgers;Hitchens;Leo;Gauthier;Ho;Scott;DeClercq;Pauwels;Andries;Janssen;Janssen[JournalofMedicinalChemistry,1995,vol.38,#5,p.771-793]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US5270464,1993,A

[3]Chegondi,Rambabu;Jadhav,SandipB.;Maurya,Sundaram;Navaneetha,N.[ChemicalCommunications,2021,vol.57,#99,p.13598-13601]

88-86-8   
(2,5-dichloro-3-nitrophenyl)methanol 

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/180612,2015,A1Locationinpatent:Page/Pagecolumn81;82

[1]Yoshida,Yoshiki;Barrett,David;Azami,Hidenori;Morinaga,Chizu;Matsumoto,Satoru;Matsumoto,Yoshimi;Takasugi,Hisashi[BioorganicandMedicinalChemistry,1999,vol.7,#11,p.2647-2666]

Literature
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SDS
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Tags:88-86-8 Molecular Formula|88-86-8 MDL|88-86-8 SMILES|88-86-8 2,5-Dichloro-3-nitrobenzoic acid