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| CAS No.: | 77729-22-7 |
|---|---|
| Name: | (2-NITRO-PHENOXY)-ACETIC ACID HYDRAZIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H9N3O4 |
| Molecular Weight: | 211.177 |
| Synonyms: | acetic acid, 2-(2-nitrophenoxy)-, hydrazide |
| Density: | 1.394 g/cm3 |
| Boiling Point: | 499.5 °C at 760 mmHg |
| Flash Point: | 255.9 °C |
| PSA: | 110.17000 |
| LogP: | 1.57790 |
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Specification
This chemical is called 2-(2-Nitrophenoxy)acetohydrazide, and it's also named as acetic acid, 2-(2-nitrophenoxy)-, hydrazide. With the molecular formula of C8H9N3O4, its molecular weight is 211.174760. The CAS registry number of this chemical is 77729-22-7.
Other characteristics of the 2-(2-Nitrophenoxy)acetohydrazide can be summarised as followings: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.98; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 78.6 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 51.26 cm3; (13)Molar Volume: 151.3 cm3; (14)Polarizability: 20.32×10-24cm3; (15)Surface Tension: 59.9 dyne/cm; (16)Density: 1.394 g/cm3; (17)Flash Point: 255.9 °C; (18)Enthalpy of Vaporization: 76.79 kJ/mol; (19)Boiling Point: 499.5 °C at 760 mmHg; (20)Vapour Pressure: 4.13E-10 mmHg at 25°C.
Uses of this chemical: The 2-(2-Nitrophenoxy)acetohydrazide could react with acetoacetic acid ethyl ester to obtain the 3-{[(2-nitro-phenoxy)-acetyl]-hydrazono}-butyric acid ethyl ester. This reaction needs the solvent of dioxane. The yield is 85 %. In addition, this reaction should be taken for 4 hours by heating.
![The 2-(2-Nitrophenoxy)acetohydrazide could react with acetoacetic acid ethyl ester to obtain the 3-{[(2-nitro-phenoxy)-acetyl]-hydrazono}-butyric acid ethyl ester](/UserFilesUpload/uses of 2-(2-Nitrophenoxy)acetohydrazide.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccccc1OCC(=O)NN
2.InChI: InChI=1/C8H9N3O4/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)
3.InChIKey: QUTJSDSZEWQPSX-UHFFFAOYAL