p-Anisidine

The CAS registry number of p-Anisidine is 104-94-9. Its EINECS registry number is 203-254-2. The IUPAC name is 4-methoxyaniline. In addition, the molecular formula is C₇H₉NO and the molecular weight is 123.15. It is also called 1-amino-4-methoxybenzene. What's more, it is a grey-brown solid and belongs to the classes of Intermediates of Dyes and Pigments; Anilines (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant, the fire and heat source

Physical properties about this chemical are: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): 0.758; (3)ACD/LogD (pH 7.4): 0.933; (4)ACD/BCF (pH 5.5): 2.011; (5)ACD/BCF (pH 7.4): 3.01; (6)ACD/KOC (pH 5.5): 51.073; (7)ACD/KOC (pH 7.4): 76.456; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.25 Å²; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 37.167 cm³; (14)Molar Volume: 115.716 cm³; (15)Polarizability: 14.734 ×10^-24cm³; (16)Surface Tension: 39.327 dyne/cm; (17)Density: 1.064 g/cm³; (18)Flash Point: 104.537 °C; (19)Enthalpy of Vaporization: 48.31 kJ/mol; (20)Boiling Point: 245.999 °C at 760 mmHg; (21)Vapour Pressure: 0.028 mmHg at 25°C.

Preparation of p-Anisidine: it can be prepared by p-nitroanisole with sodium sulfide. Add sodium sulfide into the reactor and heat it to 90 °C with stirring. Then add p-nitroanisole into the reactor in 4 hours. The reaction temperature should be controlled at 90-95 °C. After adding the p-nitroanisole, heat the mixture to 100 °C with stirring for 0.5 hour. Then heat it to 110-111 °C with stirring for 2 hours. And then after a series of separation and vacuum distillation you can get the desired product.

Uses of p-Anisidine: it is often used for biochemical research and organic synthesis. And it can be used as pharmaceutical intermediates. In addition, it can react with vinylbenzene to get 1-methoxy-4-trans-styryl-benzene. This reaction will need reagent t-BuONO, monochloroacetic acid, catalyst Pd(dba)₂ and solvent acetic acid. The reaction time is 0.5 hour at reaction temperature of 50 °C. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. And it has danger of cumulative effects and may cause cancer. Moreover, it is very toxic to aquatic organisms. If heated strongly, it may release very toxic fumes of nitrogen oxides. You should avoid exposure - obtain special instruction before use. When you are using it, wear suitable protective clothing and gloves. If contact it with skin, wash it immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). In addition, you should avoid release to the environment and you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)N
(2)InChI: InChI=1/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
(3)InChIKey: BHAAPTBBJKJZER-UHFFFAOYAR

The toxicity data is as follows: