4-NITROPHENOXYACETIC ACID HYDRAZIDE

The Acetic acid,2-(4-nitrophenoxy)-, hydrazide with CAS registry number of 75129-74-7 is also called 4-Nitrophenoxyacetic acid hydrazide. It belongs to categories of Aromatic Hydrazides; Hydrazines; Hydrazones and Oximes. Its IUPAC name is 2-(4-nitrophenoxy)acetohydrazide.

Physical properties about this chemical are: (1) ACD/LogP: -0.13; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.13; (4) ACD/LogD (pH 7.4): -0.12; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 20.36; (8) ACD/KOC (pH 7.4): 20.38; (9) #H bond acceptors: 7; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 78.6 Ų; (13) Index of Refraction: 1.592; (14) Molar Refractivity: 51.26 cm³; (15) Molar Volume: 151.3 cm³; (16) Polarizability: 20.32×10^-24 cm³; (17) Surface Tension: 59.9 dyne/cm; (18) Density: 1.394 g/cm³; (19) Flash Point: 263.4 °C; (20) Enthalpy of Vaporization: 78.3 kJ/mol; (21) Boiling Point: 511.9 °C at 760 mmHg; (22) Vapour Pressure: 1.35E-10 mmHg at 25°C.

Preparation of Acetic acid,2-(4-nitrophenoxy)-, hydrazide: this chemical can be prepared by (4-nitro-phenoxy)-acetic acid ethyl ester.

This reaction needs reagent hydrazine hydrate and solvent ethanol, and other condition of heating for 12 hours. The yield is 70%.

Uses of Acetic acid,2-(4-nitrophenoxy)-, hydrazide: it can react with (4-methoxy-phenoxy)-acetyl chloride and thiocyanic acid; ammonium salt to give 2-(4-methoxy-phenoxy)-N-{N'-[(4-nitro-phenoxy)-acetyl]-hydrazinocarbothioyl}-acetamide.
 

 

This reaction needs reagent PEG 400 and solvent CH₂Cl₂ at temperature of 20 °C. The reaction time is 1.0 hour. The yield is 91%.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection.  If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(OCC(=O)NN)cc1;
(2) InChI: InChI=1/C8H9N3O4/c9-10-8(12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4H,5,9H2,(H,10,12);
(3) InChIKey: BDPKZWIKLVUGKS-UHFFFAOYAP;
(4) Std. InChI: InChI=1S/C8H9N3O4/c9-10-8(12)5-15-7-3-1-6(2-4-7)11(13)14/h1-4H,5,9H2,(H,10,12);
(5) Std. InChIKey: BDPKZWIKLVUGKS-UHFFFAOYSA-N