2-Methyl-5-nitrobenzoic acid

The 2-Methyl-5-nitrobenzoic Acid, with its cas registry number 1975-52-6, is a kind of light yellow solid, and its product categories are various, including blocks; carboxes; nitrocompounds; aromatic carboxylic acids, amides, anilides, anhydrides & salts; benzoic acid; organic acids; aromatics compounds; aromatics.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): -0.03; (3)ACD/LogD (pH 7.4): -0.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.03; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.12; (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)Density: 1.392 g/cm³; (18)Flash Point: 163.5 °C; (19)Enthalpy of Vaporization: 64 kJ/mol; (20)Boiling Point: 360.8 °C at 760 mmHg; (21)Vapour Pressure: 7.78E-06 mmHg at 25°C; (22)Exact Mass: 181.037508; (23)MonoIsotopic Mass: 181.037508; (24)Topological Polar Surface Area: 83.1; (25)Heavy Atom Count: 13; (26)Complexity: 223.

Uses of 2-Methyl-5-nitrobenzoic Acid: 2-Methyl-5-nitrobenzoic Acid could react to produce 5-amino-2-methyl-benzoic acid. The reaction condition is below: reagent: aq. H2SO4; solution: ethanol; reaction temp.: 25 ℃; other condition: electrochemical reduction.

Production method of 2-Methyl-5-nitrobenzoic Acid: 1,2-dimethyl-4-nitro-benzene could react to produce  2-Methyl-5-nitrobenzoic Acid. The reaction condition is below: reagent:tetra-n-butylammonium hydrogen sulfate, RuCl2*3H2O, aq. NaOCl, NaOH; solution: CH2Cl2; reaction time: 2 hours; reaction temp.: 25 ℃; field: 90%.

You should be cautious while dealing with this chemical. For being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes, and it may cause damage to health. Then it is dangerous if swallowed or by skin contact or by inhalation. Therefore, you should take the following instructions while using. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Besides, do not breathe dust.

Addtionally, the following datas could be converted inte the molecular structure:
(1)SMILES:O=C(O)c1cc(ccc1C)[N+]([O-])=O
(2)InChI:InChI=1/C8H7NO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey:DJRFJAVPROZZFL-UHFFFAOYAT