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CAS No.: | 19176-60-4 |
---|---|
Name: | 4-NITROPHENYL ANTHRANILATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H10N2O4 |
Molecular Weight: | 258.233 |
Synonyms: | para-Nitrophenyl anthranilate;4-Nitrophenyl Anthranilate; |
Density: | 1.381 g/cm3 |
Melting Point: | 127-129 °C |
Boiling Point: | 467 °C at 760 mmHg |
Flash Point: | 236.2 °C |
Hazard Symbols: | Xi |
PSA: | 98.14000 |
LogP: | 3.50060 |
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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