Products
3-Methyl-2-nitrobenzoic acid
Synonyms:3-METHYL-2-NITROBENZOIC ACID;5437-38-7;2-Nitro-m-toluic acid;2-Nitro-3-methylbenzoic acid;Benzoic acid, 3-methyl-2-nitro-;EINECS 226-610-9;NSC 16048;UNII-61WOP984AB;61WOP984AB;DTXSID6025640;
MFCD00007180;NSC-16048;3-Methyl-2-nitrobenzoicacid;3-methyl-2-nitro-benzoic acid;NSC16048;m-Toluic acid,2-nitro-;MLS002152883;
SCHEMBL385272;2-nitro-3-methyl benzoic acid;2-nitro-3-methyl-benzoic acid;DTXCID905640;CHEMBL1481036;HMS3039K16;BCP07125;CS-D1497;STR05118;Tox21_200852;CX1289;STK498737;3-Methyl-2-nitrobenzoic acid, 98%;AKOS000120838;AB00851;AC-5776;LS-1345;METHYL-2-NITROBENZOIC ACID, 3-;NCGC00091591-01;NCGC00091591-02;NCGC00258406-01;SMR001224496;SY001287;CAS-5437-38-7;A7902;AM20060665;FT-0616069;M1370;EN300-20797;M-4210;AE-562/43460712;J-512839;Q27263392;F8889-4351;Z104482584
Chemical Property of 3-Methyl-2-nitrobenzoic acid
● Appearance/Colour:white to slightly yellow crystalline powder
● Vapor Pressure:3.44E-05mmHg at 25°C
● Melting Point:219-223 °C
● Refractive Index:1.5468 (estimate)
● Boiling Point:339.958 °C at 760 mmHg
● PKA:2.26±0.10(Predicted)
● Flash Point:153.358 °C
● PSA：83.12000
● Density:1.393 g/cm3
● LogP:2.12460
● Storage Temp.:Sealed in dry,Room Temperature
● Water Solubility.:<0.1 g/100 mL at 22℃
● XLogP3:1.6
● Hydrogen Bond Donor Count:1
● Hydrogen Bond Acceptor Count:4
● Rotatable Bond Count:1
● Exact Mass:181.03750770
● Heavy Atom Count:13
● Complexity:223
● Transport DOT Label:Poison
Purity/Quality
99.0% min *data from raw suppliers
3-Methyl-2-nitrobenzoic acid 97% *data from reagent suppliers
Safty Information
● Pictogram(s):
Xn,
Xi
● Hazard Codes:Xi,Xn
● Statements:36/37/38-20/21/22
● Safety Statements:26-36-36/37/39-22-37
MSDS Files
Useful
● Chemical Classes:Nitrogen Compounds -> Nitrobenzoic Acids
● Canonical SMILES:CC1=C(C(=CC=C1)C(=O)O)[N+](=O)[O-]
● 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.
Details
3-Methyl-2-nitrobenzoic acid is a chemical compound that contains a methyl group (-CH3), a nitro group (-NO2), and a carboxylic acid group (-COOH) attached to a benzene ring. Its chemical formula is C9H7NO4. It is a yellow crystalline solid and is mainly used as a dye intermediate and in the synthesis of pharmaceuticals and organic compounds.3-Methyl-2-nitrobenzoic acid can be prepared by nitration of 3-methylbenzoic acid using a mixture of nitric acid and sulfuric acid as the nitration reagent. It is important to handle 3-Methyl-2-nitrobenzoic acid with proper safety precautions, as it is a toxic compound. It can irritate the eyes, skin, and respiratory system, so protective equipment such as gloves and goggles should be worn when handling it. It should also be stored in a cool, dry place and away from sources of ignition or heat.
