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Home Nitro Compounds 28169-46-2
28169-46-2,MFCD00007161
Catalog No.:AA00IKCP

28169-46-2 | Benzoic acid, 2-methyl-3,5-dinitro-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$34.00   $24.00
- +
100g
98%
in stock  
$94.00   $66.00
- +
500g
98%
in stock  
$259.00   $182.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IKCP
Chemical Name:
Benzoic acid, 2-methyl-3,5-dinitro-
CAS Number:
28169-46-2
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
MDL Number:
MFCD00007161
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])C
NSC Number:
168527
Properties
Properties
 
BP:
367.74°C (rough estimate)  
Form:
Solid  
MP:
205-207 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Storage:
2-8℃;Keep in dry area;  

Computed Properties
 
Complexity:
320  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Literature

Title: catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: (Dimethyl sulfoxide-κO)trimeth-yl(2-methyl-3,5-dinitro-benzoato-κO)tin(IV).

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: catena-Poly[bis-(μ(3)-2-methyl-3,5-dinitro-benzoato)disilver(I)].

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Poly[(μ(6)-2-methyl-3,5-dinitro-benzoato)potassium].

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: catena-Poly[[(2-methyl-benzoato-κO,O')sodium]-di-μ-aqua-κO:O'].

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: Methyl 2-methyl-3,5-dinitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: 2-Methyl-3,5-dinitro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

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Tags:28169-46-2 Molecular Formula|28169-46-2 MDL|28169-46-2 SMILES|28169-46-2 Benzoic acid, 2-methyl-3,5-dinitro-