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Home Nitro Compounds 3113-71-1
3113-71-1,MFCD00007168
Catalog No.:AA003JNB

3113-71-1 | 3-Methyl-4-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$13.00   $9.00
- +
25g
97%
in stock  
$16.00   $11.00
- +
100g
97%
in stock  
$26.00   $18.00
- +
500g
97%
in stock  
$36.00   $25.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003JNB
Chemical Name:
3-Methyl-4-nitrobenzoic acid
CAS Number:
3113-71-1
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007168
SMILES:
OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
NSC Number:
28455
UN Number:
2811
Properties
Properties
 
BP:
356°C at 760 mmHg  
Form:
Solid  
MP:
216-218 °C(lit.)  
Refractive Index:
1.5468 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Literature

Title: Vibrational spectroscopic studies, molecular orbital calculations and chemical reactivity of 6-nitro-m-toluic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120615

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:3113-71-1 Molecular Formula|3113-71-1 MDL|3113-71-1 SMILES|3113-71-1 3-Methyl-4-nitrobenzoic acid |Organic_Building_Blocks