Name | 4-nitro-o-toluic acid |
Synonyms | 2-Methyl-4-nitrobenz Tolvaptan Impurity 31 4-nitro-o-toluic acid 4-Nitro-2-MethylbenzoicAcid 2-methyl-4-nitrobenzoic acid 2-Methyl-4-Nitro-Benzoic Acid Benzoic acid, 2-methyl-4-nitro- 2-METHYL-4-NITROBENZOIC ACID 97 Methyl 2-Methyl-4-nitrobenzoic acid 2-Methyl-4-nitro-benzoic acid 4-nitro-o-toluic acid 4-Carboxy-3-methylnitrobenzene, 2-Carboxy-5-nitrotoluene 4-Carboxy-3-methylnitrobenzene, 2-Carboxy-5-nitrotoluene, 4-Nitro-o-toluic acid |
CAS | 1975-51-5 |
EINECS | 217-828-5 |
InChI | InChI=1/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChIKey | XXXOBNJIIZQSPT-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
Molar Mass | 181.15 |
Density | 1.392±0.06 g/cm3(Predicted) |
Melting Point | 150-154 °C (lit.) |
Boling Point | 153 °C |
Flash Point | 167.6°C |
Solubility | DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 4.19E-06mmHg at 25°C |
Appearance | Solid |
Color | Pale Yellow to Yellow |
pKa | pK1:1.86 (25°C) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.6 |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R43 - May cause sensitization by skin contact |
Safety Description | 37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
HS Code | 29163100 |
Introduction | 2-methyl-4-nitrobenzoic acid is a yellow or yellow-white solid at normal temperature and pressure, it is generally soluble in dimethyl sulfoxide and methanol, and the solubility is better in the case of heating, and the solubility in ethyl acetate is better. It can be used as an intermediate in organic synthesis. |
Use | 2-methyl-4-nitrobenzoic acid is a common intermediate in organic synthesis. The carboxyl group in 2-methyl-4-nitrobenzoic acid can be converted into a series of reactive functional groups, such as hydroxyl, Ester, etc. The nitro group on the benzene ring can also be easily converted to an amino group by a reduction reaction. |
synthesis method | for the synthesis of 2-methyl-4-nitrobenzoic acid, the conventional synthesis method starts from 4-nitroo-xylene, and the para-methyl group of the nitro group can be selectively oxidized to the carboxyl group by the action of alkaline high temperature and high pressure, while the meta-methyl group is not affected. |
Environmental hazard | 2-methyl-4-nitrobenzoic acid as a nitro-containing organic acid compound, there is a greater risk to the water environment, not to allow undiluted or large amounts of product contact with groundwater, water channels or sewage systems. |