4-NITROPHENYL ANTHRANILATE

The Benzoic acid, 2-amino-,4-nitrophenyl ester, with the CAS registry number 19176-60-4, is also known as 4-Nitrophenyl Anthranilate and para-Nitrophenyl anthranilate. It belongs to the product categories of Phenyl Esters (Liquid Crystals); Functional Materials; Liquid Crystals & Related Compounds. This chemical's molecular formula is C₁₃H₁₀N₂O₄ and molecular weight is 258.23. What's more, both its IUPAC name and systematic name are the same which is called 4-Nitrophenyl 2-aminobenzoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.53; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 75.36 Å²; (7)Index of Refraction: 1.655; (8)Molar Refractivity: 68.67 cm³; (9)Molar Volume: 186.9 cm³; (10)Polarizability: 27.22×10^-24 cm³; (11)Surface Tension: 62.6 dyne/cm; (12)Density: 1.381 g/cm³; (13)Flash Point: 236.2 °C; (14)Enthalpy of Vaporization: 72.89 kJ/mol; (15)Boiling Point: 467 °C at 760 mmHg; (16)Vapour Pressure: 6.74E-09 mmHg at 25 °C; (17)Melting Point: 127-129 °C.

Preparation of Benzoic acid, 2-amino-,4-nitrophenyl ester: this chemical can be prepared by 1H-Benzo[d][1,3]oxazine-2,4-dione and 4-Nitro-phenol.

This reaction will occur at temperature of 140 °C. The reaction time is 20 min. The yield is 90 %.

Uses of Benzoic acid, 2-amino-,4-nitrophenyl ester: it is used to produce other chemicals. For example, it is used to produce 2-Isothiocyanato-benzoic acid 4-nitro-phenyl ester.

The reaction needs reagent CaCO₃ and solvents CHCl₃ and H₂O. The yield is 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2N
(2) InChI: InChI=1/C13H10N2O4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H,14H2
(3) InChIKey: IFHJJPYCVMFLMB-UHFFFAOYAM