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3-Methyl-2-nitrobenzoic acid

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CAS:5437-38-7
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CAS:5437-38-7
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CAS:5437-38-7
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CAS:5437-38-7
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3-Methyl-2-nitrobenzoic acid manufacturers

3-Methyl-2-nitrobenzoic acid Basic information
Product Name:3-Methyl-2-nitrobenzoic acid
Synonyms:3-METHYL-2-NITROBENZOIC ACID;3-Methyl-2-NitrobenzoicAcid98%;3-Methyl-2-Nitrobenzoic Acid 98%;3-Methyl-2-nitrobenzoic;3-Methyl-2-nitrobenz;3-Methyl-2-nitrobenzoic acid, 98% 25GR;3-METHY-2-NITROBENZOICACID;m-Toluic acid, 2-nitro-
CAS:5437-38-7
MF:C8H7NO4
MW:181.15
EINECS:226-610-9
Product Categories:Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Benzoic acid;Organic acids;FINE Chemical & INTERMEDIATES;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Mol File:5437-38-7.mol
3-Methyl-2-nitrobenzoic acid Structure
3-Methyl-2-nitrobenzoic acid Chemical Properties
Melting point 220-223 °C (lit.)
Boiling point 314.24°C (rough estimate)
density 1.4283 (rough estimate)
refractive index 1.5468 (estimate)
storage temp. Sealed in dry,Room Temperature
form powder to crystal
pka2.26±0.10(Predicted)
color White to Almost white
Water Solubility <0.1 g/100 mL at 22 ºC
BRN 1960698
InChIInChI=1S/C8H7NO4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKeyDGDAVTPQCQXLGU-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC=CC(C)=C1[N+]([O-])=O
CAS DataBase Reference5437-38-7(CAS DataBase Reference)
EPA Substance Registry System3-Methyl-2-nitrobenzoic acid (5437-38-7)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 26-36-36/37/39-22-37
WGK Germany 3
TSCA Yes
HS Code 29163990
MSDS Information
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3-Methyl-2-nitrobenzoic acid English
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3-Methyl-2-nitrobenzoic acid Usage And Synthesis
Chemical Propertieswhite to slightly yellow crystalline powder
Uses2-Nitro-m-toluic Acid, is a building block used for the synthesis of various compounds. It can be used for the synthesis of novel Indolin-2-one derivatives as protein tyrosine phosphatase 1B inhibitors.
General DescriptionPrisms or white crystalline solid.
Air & Water ReactionsInsoluble in water.
Reactivity Profile3-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 HazardInformation concerning the flash point of 3-Methyl-2-nitrobenzoic acid is not available. 3-Methyl-2-nitrobenzoic acid is probably combustible.
Purification MethodsRecrystallise it from EtOH. The methyl ester has m 74o (from MeOH), and the amide [60310-07-8] M 180.1, has m 192o (needles from H2O, prisms from EtOH). [Beilstein 9 H 480, 9 IV 1722.]
Tag:3-Methyl-2-nitrobenzoic acid(5437-38-7) Related Product Information
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