3-Nitrophthalhydrazide supplier

Name
3-Nitrophthalhydrazide
EINECS
CAS No. 3682-15-3
Article Data20
CAS DataBase
Density 1.556 g/cm³
Solubility
Melting Point >300 °C(lit.)
Formula C₈H₅N₃O₄
Boiling Point
Molecular Weight 207.145
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dihydro-5-nitro-1,4-phthalazinedione;5-Nitro-2,3-dihydro-1,4-phthalazinedione;5-Nitrophthalhydrazide;NSC 942;
PSA 111.54000
LogP 0.64780

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

Product Name

3-Nitrophthalhydrazide

3-Nitrophthalhydrazide Specification

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