The cas register number of Methyl 3-nitrobenzoate is 618-95-1. It also can be called as m-Nitrobenzoic acid, methyl ester and the IUPAC Name about this chemical is methyl 3-nitrobenzoate. It belongs to the following product categories, such as Aromatic Esters, C₈ to C₉, Carbonyl Compounds, Esters and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about Methyl 3-nitrobenzoate are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.2; (5)ACD/BCF (pH 7.4): 14.2; (6)ACD/KOC (pH 5.5): 232.46; (7)ACD/KOC (pH 7.4): 232.46; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.12Ų; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 44.57 cm³; (13)Molar Volume: 139.1 cm³; (14)Polarizability: 17.66x10^-24cm³; (15)Surface Tension: 48.6 dyne/cm; (16)Enthalpy of Vaporization: 52.37 kJ/mol; (17)Boiling Point: 284.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00293 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and 3-nitro-benzaldehyde oxime. This reaction will need reagent 2-nitrobenzeneseleninic acid (2-NBSeA), 30percent aq. H₂O₂. The reaction time is 2 day(s) with reaction temperature of 20 ℃. The yield is about 80%.

Uses of p-Chloropropiophenone: it can be used to produce 3-nitro-benzoic acid at temperature of 190 ℃. This reaction will need reagent PhSH, KF and solvent various solvent(s) with reaction time of 10 min. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
(3)InChIKey: AXLYJLKKPUICKV-UHFFFAOYSA-N