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3-Nitrophthalhydrazide

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Name

3-Nitrophthalhydrazide

EINECS N/A
CAS No. 3682-15-3 Density 1.556 g/cm3
PSA 111.54000 LogP 0.64780
Solubility N/A Melting Point >300 °C(lit.)
Formula C8H5N3O4 Boiling Point N/A
Molecular Weight 207.145 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3682-15-3 (3-Nitrophthalhydrazide) Hazard Symbols N/A
Synonyms

2,3-Dihydro-5-nitro-1,4-phthalazinedione;5-Nitro-2,3-dihydro-1,4-phthalazinedione;5-Nitrophthalhydrazide;NSC 942;

Article Data 20

3-Nitrophthalhydrazide Specification

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

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