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CAS No.: | 3682-19-7 |
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Name: | 4-Nitrophthalhydrazide |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H5N3O4 |
Molecular Weight: | 207.145 |
Synonyms: | 1,4-Phthalazinedione,2,3-dihydro-6-nitro- (6CI,7CI,8CI,9CI);6-Nitrophthalhydrazide;7-Nitro-2,3-dihydrophthalazine-1,4-dione;NSC 9339; |
Density: | 1.555g/cm3 |
Melting Point: | 300°C(dec.)(lit.) |
Boiling Point: | 626.8 °C at 760 mmHg |
Flash Point: | 332.9 °C |
Appearance: | light yellow powder |
PSA: | 111.54000 |
LogP: | 0.64780 |
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The 4-Nitrophthalhydrazide with the CAS number 3682-19-7 is also called 1(2H)-Phthalazinone,4-hydroxy-7-nitro-. Both the systematic name and IUPAC name are 6-nitro-2,3-dihydrophthalazine-1,4-dione. Its molecular formula is C8H5N3O4. This chemical is light yellow powder.
The properties of the 4-Nitrophthalhydrazide are: (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): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.82; (8)ACD/KOC (pH 7.4): 33.85; (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)Enthalpy of Vaporization: 96.16 kJ/mol; (19)Vapour Pressure: 2.65×10-16 mmHg at 25°C.
Uses: This chemical can react with anthracene to prepare C22H13N3O4. This reaction needs reagent lead tetra-acetate and solvent CH2Cl2 at ambient temperature. The reaction time is 4.0 hours. The yield is 85%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c(C(=O)NNC1=O)c2
(2)InChI: InChI=1/C8H5N3O4/c12-7-5-2-1-4(11(14)15)3-6(5)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)
(3)InChIKey: XQFIOLKLHNOFCA-UHFFFAOYAU