Benzenamine,4-methoxy-3-nitro- (577-72-0)

The 4-Methoxy-3-nitroaniline, with the CAS registry number 577-72-0, is also known as Benzenamine,4-methoxy-3-nitro-. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds and API Intermediates. This chemical's molecular formula is C₇H₈N₂O₃ and molecular weight is 168.15. What's more, both its IUPAC name and systematic name are the same which is called 4-Methoxy-3-nitroaniline.

Physical properties about this chemical are: (1) ACD/LogP: 1.04; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.04; (4) ACD/LogD (pH 7.4): 1.04; (5) ACD/BCF (pH 5.5): 3.64; (6) ACD/BCF (pH 7.4): 3.66; (7) ACD/KOC (pH 5.5): 87.54; (8) ACD/KOC (pH 7.4): 88.13; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 58.29 Å²; (13) Index of Refraction: 1.601; (14) Molar Refractivity: 43.71 cm³; (15) Molar Volume: 127.5 cm³; (16) Surface Tension: 53.6 dyne/cm; (17) Density: 1.318 g/cm³; (18) Flash Point: 169.7 °C; (19) Enthalpy of Vaporization: 60.22 kJ/mol; (20) Boiling Point: 356.9 °C at 760 mmHg; (21) Vapour Pressure: 2.82E-05 mmHg at 25 °C.

Preparation of 4-Methoxy-3-nitroaniline: this chemical is prepared by reaction of 4-Fluoro-3-nitro-aniline with Sodium salt.



The reaction occurs with reagent Methanol and other condition of heating for 21 hours. The yield is 97%.

Uses of 4-Methoxy-3-nitroaniline: it is used to produce other chemicals. For example, it is used to produce c-Chloro-N-(4-methoxy-3-nitro-phenyl)-methanesulfonamide.



This reaction will occur with reagent Pyridine at temperature of 0-5 °C for 4 hours. The yield is 73%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious when you are using 4-Methoxy-3-nitroaniline.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(ccc1OC)N
(2) InChI: InChI=1/C7H8N2O3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3
(3) InChIKey: RUFOHZDEBFYQSV-UHFFFAOYAD