4-Acetamido-3-nitrobenzoic acid

The 4-Acetylamino-3-nitro-benzoic acid is an organic compound with the formula C₉H₈N₂O₅. The IUPAC name of this chemical is 4-Acetamido-3-nitrobenzoic acid. With the CAS registry number 1539-06-6, it is also named as 4-(Acetylamino)-3-nitrobenzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts. Besides, it is beige to yellow crystalline powder, which should be stored in a cool, sealed, dry, well-ventilated place.

Physical properties about 4-Acetylamino-3-nitro-benzoic acid are: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -1.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.65; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 92.43 Å²; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 54 cm³; (14)Molar Volume: 146.8 cm³; (15)Polarizability: 21.4×10^-24 cm³; (16)Surface Tension: 72.5 dyne/cm; (17)Density: 1.526 g/cm³; (18)Flash Point: 254.6 °C; (19)Enthalpy of Vaporization: 80.6 kJ/mol; (20)Boiling Point: 497.4 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-10 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Acetylamino-benzoic acid. This reaction will need reagents H₂SO₄; KNO₃. The reaction time is 2 hours with reaction temperature of -5 - 0 °C. The yield is about 83%.

Uses of 4-Acetylamino-3-nitro-benzoic acid: it can be used to produce 4-Acetylamino-3-nitro-benzoic acid 2-acetyl-4-methyl-phenyl ester. It will need reagents POCl₃; pyridine. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by skin contact. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
(2)InChIKey: BRQIMWBIZLRLSV-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
(4)Std. InChIKey: BRQIMWBIZLRLSV-UHFFFAOYSA-N