The p-Nitroanisole with CAS registry number of 100-17-4 is also known as 4-Nitro-1-methoxybenzene. The IUPAC name is 1-Methoxy-4-nitrobenzene. It belongs to product categories of Aromatic Ethers. Its EINECS registry number is 202-825-3. In addition, the formula is C₇H₇NO₃ and the molecular weight is 153.15. This chemical is a beige crystalline solid and soluble in alcohol, ether, boiling petroleum ether, slightly soluble in cold petroleum ether and insoluble in water. Besides, it should be sealed in ventilated, cool place away from oxidants, reducing agents, acids and alkali. This chemical is used as dye and pharmaceutical intermediates, mainly for the production of amino-anisole, blue salt, vitamin b.

Physical properties about p-Nitroanisole are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)#H bond acceptors: 4  #H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.542; (7)Molar Refractivity: 39.47 cm³; (8)Molar Volume: 125.2 cm³; (9)Surface Tension: 42.2 dyne/cm; (10)Density: 1.222 g/cm³; (11)Flash Point: 134.6 °C; (12)Enthalpy of Vaporization: 47.76 kJ/mol; (13)Boiling Point: 260 °C at 760 mmHg; (14)Vapour Pressure: 0.0203 mmHg at 25 °C.

Preparation of p-Nitroanisole: it is prepared by reaction of 1-chloro-4-nitro-benzene with methanol; sodium salt. The reaction needs reagent amberlyst A27 and solvent toluene at the temperature of 60 °C. The yield is about 70%.

Uses of p-Nitroanisole: it is used to produce 2-iodo-4-nitro-anisole. The reaction occurs with reagent I₂/F₂ and solvents CHCl₃, CCl₃F at the temperature of 25 °C for 12 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This chemical also has possible risk of irreversible effects. During using it, wear suitable protective clothing and gloves. Avoid release to the environment.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC=C(C=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
3. InChIKey: BNUHAJGCKIQFGE-UHFFFAOYSA-N

The toxicity data is as follows: