Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methyl-4-nitrobenzoic acid |
EINECS | 217-828-5 |
CAS No. | 1975-51-5 | Density | 1.392 g/cm3 |
PSA | 83.12000 | LogP | 2.12460 |
Solubility | N/A | Melting Point |
150-154 °C(lit.) |
Formula | C8H7NO4 | Boiling Point | 369.3 °C at 760 mmHg |
Molecular Weight | 181.148 | Flash Point | 167.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 37/39 | Risk Codes | 22-43 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
o-Toluicacid, 4-nitro- (6CI,7CI,8CI);4-Nitro-2-methylbenzoic acid;4-Nitro-o-toluic acid;NSC 227948; |
Article Data | 24 |
Conditions | Yield |
---|---|
With N-hydroxyphthalimide; cobalt(II) chloride hexahydrate; nitric acid; manganese (II) acetate tetrahydrate under 760.051 Torr; for 12h; Reagent/catalyst; Concentration; Reflux; | 72% |
With oxygen; sodium hydroxide In methanol; water at 65℃; under 13501.4 Torr; for 24h; Solvent; Temperature; Concentration; Autoclave; | 62% |
With oxygen; sodium hydroxide In ethanol; water at 60℃; under 7500.75 - 13501.4 Torr; for 24h; Solvent; Green chemistry; chemoselective reaction; | 58% |
With manganese(IV) oxide; nitric acid for 1h; Time; |
2-methyl-4-nitro-benzoic acid amide
2-methyl-4-nitrobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water for 20h; Heating / reflux; | 89.5% |
With hydrogenchloride for 20h; Hydrolysis; Heating; | 88% |
With sulfuric acid; sodium nitrite |
2-cyano-5-nitrotoluene
2-methyl-4-nitrobenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; dihydrogen peroxide In water Heating; | 83% |
With hydrogenchloride; acetic acid at 165℃; | |
With sodium hydroxide |
Conditions | Yield |
---|---|
With potassium carbonate In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide | |
With potassium carbonate In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide | |
With potassium carbonate In diethyl ether; hexane; water; pyrographite; ethyl acetate; N,N-dimethyl-formamide |
2-methyl-4-nitrobenzoic acid
Conditions | Yield |
---|---|
Stage #1: 2-methyl-4-nitrobenzeneacetamide With sodium hypochlorite; potassium permanganate at 80℃; for 0.666667h; Stage #2: With hydrogenchloride for 2h; Temperature; |
Conditions | Yield |
---|---|
With Streptomyces thioluteus para-aminobenzoate N-oxygenase |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: aq. HCl; NaNO2 / 0 - 5 °C 1.2: 81 percent / KCN / ethyl acetate / 20 °C 2.1: 98 percent / 80 percent aq. H2SO4 / 1.25 h / 100 °C 3.1: 88 percent / 6 N aq. HCl / 20 h / Heating View Scheme | |
Multi-step reaction with 3 steps 1.1: 1 h / 60 °C 1.2: 2 h / 60 °C 2.1: dihydrogen peroxide; sodium perborate / 2 h / 300 °C / 22502.3 Torr 2.2: 0.83 h / 70 °C 3.1: potassium permanganate; sodium hypochlorite / 0.67 h / 80 °C 3.2: 2 h View Scheme |
2-methyl-4-nitrobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; sulfuric acid at 120℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: nitric acid; sulfuric acid / toluene / 1.25 h / 20 - 65 °C 2.1: tin(ll) chloride; iron; acetic acid / 0.5 h / 85 °C 2.2: 0.83 h 3.1: 1 h / 60 °C 3.2: 2 h / 60 °C 4.1: dihydrogen peroxide; sodium perborate / 2 h / 300 °C / 22502.3 Torr 4.2: 0.83 h / 70 °C 5.1: potassium permanganate; sodium hypochlorite / 0.67 h / 80 °C 5.2: 2 h View Scheme |
2-methyl-4-nitrobenzylpyridinium bromide
2-methyl-4-nitrobenzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide; bromine |
The IUPAC name of this chemical is 2-methyl-4-nitrobenzoic acid. With the CAS registry number 1975-51-5, it is also named as Benzoic acid, 2-methyl-4-nitro-. The product's categories are Carboxylic Acids; Phenyls & Phenyl-Het; C8; Carbonyl Compounds. It is stable under normal temperature and pressure. Additionally, this chemical should be stored at normal temperature and in the cool and ventilate place.
The other characteristics of 2-Methyl-4-nitrobenzoic acid can be summarized as: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.1; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 44.55 cm3; (14)Molar Volume: 130 cm3; (15)Polarizability: 17.66×10-24 cm3; (16)Surface Tension: 60.3 dyne/cm; (17)Enthalpy of Vaporization: 64.99 kJ/mol; (18)Vapour Pressure: 4.19E-06 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 181.037508; (21)MonoIsotopic Mass: 181.037508; (22)Topological Polar Surface Area: 83.1; (23)Complexity: 223.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. And it may cause sensitization by skin contact. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1ccc(cc1C)[N+]([O-])=O
2. InChI:InChI=1/C8H7NO4/c1-5-4-6(9(12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
3. InChIKey:XXXOBNJIIZQSPT-UHFFFAOYAW