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118-97-8,MFCD00007080
Catalog No.:AA0077VU

118-97-8 | 4-Chloro-3,5-dinitrobenzoic acid

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5g
>98%(HPLC)
in stock  
$24.00   $17.00
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25g
>98%(HPLC)
in stock  
$34.00   $24.00
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100g
95%
in stock  
$79.00   $55.00
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250g
≥ 99.5% (Assay by titration)
in stock  
$163.00   $114.00
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500g
95%
in stock  
$261.00   $183.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0077VU
Chemical Name:
4-Chloro-3,5-dinitrobenzoic acid
CAS Number:
118-97-8
Molecular Formula:
C7H3ClN2O6
Molecular Weight:
246.5615
MDL Number:
MFCD00007080
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(=O)O
NSC Number:
76583
Properties
Computed Properties
 
Complexity:
300  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Literature

Title: The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO-LUMO analysis of monomeric and dimeric structures of 4-chloro-3,5-dinitrobenzoic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701

Title: Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise.

Journal: BMC microbiology 20120101

Title: Methyl 2-(4-chloro-3,5-dinitro-benz-amido)-acetate.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Isopropyl 4-chloro-3,5-dinitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Physicochemical and toxicological studies on 4-chloro-3,5-dinitrobenzoic acid in aqueous solutions.

Journal: Environmental toxicology and chemistry 20040501

Title: Degradation of nitroaromatic compounds by the UV-H2O2 process using polychromatic radiation sources.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020701

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SDS
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Tags:118-97-8 Molecular Formula|118-97-8 MDL|118-97-8 SMILES|118-97-8 4-Chloro-3,5-dinitrobenzoic acid