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Home Nitro Compounds 16533-71-4
16533-71-4,MFCD00007175
Catalog No.:AA001W17

16533-71-4 | 4-Methyl-3,5-dinitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
95%
in stock  
$8.00   $6.00
- +
25g
95%
in stock  
$14.00   $10.00
- +
100g
95%
in stock  
$35.00   $25.00
- +
500g
95%
in stock  
$167.00   $117.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA001W17
Chemical Name:
4-Methyl-3,5-dinitrobenzoic acid
CAS Number:
16533-71-4
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
MDL Number:
MFCD00007175
SMILES:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O
NSC Number:
5589
Properties
Properties
 
BP:
396.3°C at 760 mmHg  
Form:
Solid  
MP:
155-158 °C(lit.)  
Solubility:
methanol: soluble250mg/10 mL, clear, faintly yellow to yellow  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
296  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Literature

Title: (Methanol-κO)(2-methyl-3,5-dinitro-benzoato-κO)triphenyl-tin(IV).

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: Hydrogen bond mediated open-frame networks in coordination polymers: supramolecular assemblies of Pr(III) and 3,5-dinitro-4-methylbenzoic acid with aza-donor compounds.

Journal: Chemical communications (Cambridge, England) 20050414

Title: Solvent-dependent coordination polymers: cobalt complexes of 3,5-dinitrobenzoic acid and 3,5-dinitro-4-methylbenzoic acid with 4,4'-bipyrdine.

Journal: Inorganic chemistry 20040126

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Tags:16533-71-4 Molecular Formula|16533-71-4 MDL|16533-71-4 SMILES|16533-71-4 4-Methyl-3,5-dinitrobenzoic acid