3113-72-2 Usage
Chemical Properties
off-white crystalline powder
Uses
5-Methyl-2-nitrobenzoic acid is used in the preparation of methyl-N-(5-methyl-2-nitrophenyl) carbamate.
General Description
Crystals or very light yellow solid.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
5-Methyl-2-nitrobenzoic acid is a nitrated carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry.
Fire Hazard
Flash point data for 5-Methyl-2-nitrobenzoic acid are not available; however, 5-Methyl-2-nitrobenzoic acid is probably combustible.
Check Digit Verification of cas no
The CAS Registry Mumber 3113-72-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,1,1 and 3 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 3113-72:
(6*3)+(5*1)+(4*1)+(3*3)+(2*7)+(1*2)=52
52 % 10 = 2
So 3113-72-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
3113-72-2Relevant articles and documents
Palmer,McIntyre
, p. 2913,2916 (1971)
Regioselectivity nitration of aromatics with N2O5 in PEG-based dicationic ionic liquid
Wang, Peng-Cheng,Lu, Ming
supporting information; experimental part, p. 1452 - 1455 (2011/05/16)
Regioselective mononitration of simple aromatic compounds has been investigated with N2O5 as nitrating agent and a new PEG200-based dicationic acidic ionic liquid (PEG200-DAIL) as catalyst. The results of experiments show that this nitration system can significantly improve the para-selectivity of alkyl-benzenes and the ortho-selectivity of halogenated-benzenes. The PEG200-DAIL exhibits recyclable temperature-dependant phase behavior in CCl4 solvent, and it can be recycled without apparent loss of catalytic activity, and only 5% loss of weight is observed after six times recycling.
Urea nitrate and nitrourea: powerful and regioselective aromatic nitration agents
Almog, Joseph,Klein, Asne,Sokol, Anat,Sasson, Yoel,Sonenfeld, Dana,Tamiri, Tsippy
, p. 8651 - 8652 (2007/10/03)
Urea nitrate (UN) and nitrourea (NU), easily prepared from urea and nitric acid, convert deactivated aromatic compounds to the corresponding nitrated derivatives with a high yield and a high regioselectivity under very mild conditions. The performance of the two reagents is quite similar indicating that NU is an intermediate in the UN nitration process.
