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CAS No.: | 3682-15-3 |
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Name: | 3-Nitrophthalhydrazide |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C8H5N3O4 |
Molecular Weight: | 207.145 |
Synonyms: | 2,3-Dihydro-5-nitro-1,4-phthalazinedione;5-Nitro-2,3-dihydro-1,4-phthalazinedione;5-Nitrophthalhydrazide;NSC 942; |
Density: | 1.556 g/cm3 |
Melting Point: | >300 °C(lit.) |
PSA: | 111.54000 |
LogP: | 0.64780 |
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This chemical is called 3-Nitrophthalhydrazide, and its IUPAC name is 5-nitro-2,3-dihydrophthalazine-1,4-dione. With the molecular formula of C8H5N3O4, its molecular weight is 207.14. The CAS registry number of this chemical is 3682-15-3. In addition, this chemical should be stored sealed in the cool and dry plcace.
Other characteristics of the 3-Nitrophthalhydrazide can be summarised as followings: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.83; (8)ACD/KOC (pH 7.4): 34.17; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.44 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 47.31 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.555 g/cm3.
Uses of this chemical: The 3-Nitrophthalhydrazide could react with C26H32N8O14, and obtain the C42H38N14O20. This reaction needs the reagent of p-TsOH, and the solvent of 1,2-dichloro-ethane. The yield is 37 %. In additon, this reaction should be taken for 22 hours, and the other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2cccc1c2C(=O)NNC1=O
2.InChI: InChI=1/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)
3.InChIKey: YVOBBFQJMOGQOU-UHFFFAOYAC