2-Methoxy-5-nitrophenol

This product is an organic compound with the formula C₇H₇NO₄. The systematic name of this chemical is 2-Methoxy-5-nitrophenol. It belongs to the product categories of Aromatic Phenols; Phenoles and thiophenoles. Its EINECS number is 211-269-0. With the CAS registry number 636-93-1, it is also named as Phenol,2-methoxy-5-nitro-. In addition, the molecular weight is 169.13. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 2-Methoxy-5-nitrophenol are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 13.67; (6)ACD/BCF (pH 7.4): 12.2; (7)ACD/KOC (pH 5.5): 226.2; (8)ACD/KOC (pH 7.4): 201.9; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 41.35 cm³; (15)Molar Volume: 123.7 cm³; (16)Polarizability: 16.39×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.367 g/cm³; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 55.17 kJ/mol; (21)Boiling Point: 291 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethoxy-4-nitro-benzene by irradiation. This reaction will need reagent NaOH and solvents tetrahydrofuran, H₂O with the reaction time of 2 hours. The yield is about 96%.

Uses of 2-Methoxy-5-nitrophenol: it can be used to produce 2-benzyloxy-1-methoxy-4-nitro-benzene by heating. It will need reagent potassium carbonate and solvent dimethylformamide with the reaction time of 3.5 hours. The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(O)c1
(2)Std. InChI: InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
(3)Std. InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N