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Basic Information
CAS No.: 2900-63-2
Name: 3,5-Dinitrobenzohydrazide
Article Data: 26
Molecular Structure:
Molecular Structure of 2900-63-2 (3,5-Dinitrobenzohydrazide)
Formula: C7H6N4O5
Molecular Weight: 226.148
Synonyms: 3,5-Dinitrobenzenecarboxylicacid hydrazide;3,5-Dinitrobenzhydrazide;3,5-Dinitrobenzoic acid hydrazide;3,5-Dinitrobenzoyl hydrazide;3,5-Dinitrobenzoylhydrazine;NSC 87798;
EINECS: 220-790-2
Density: 1.608g/cm3
PSA: 146.76000
LogP: 2.24410
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Specification

The 3,5-Dinitrobenzohydrazide with the cas number 2900-63-2 is also called Benzoic acid,3,5-dinitro-, hydrazide. Its EINECS registry number is 220-790-2. The molecular formula is C7H6N4O5. The product category is Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes.

The properties of the chemical are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.79; (8)ACD/KOC (pH 7.4): 31.76; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 115.19 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 51.86 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 20.56×10-24cm3; (17)Surface Tension: 80 dyne/cm.

Uses: This chemical can react with carbon disulfide to product 5-(3,5-dinitro-phenyl)-3H-[1,3,4]oxadiazole-2-thione. This reaction needs reagent KOH and solvent aq. ethanol at heating condition. The reaction time is 6.0 hours. The yield is 72.8%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)NN
(2)InChI: InChI=1/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)
(3)InChIKey: IJVPILVRNBBRSO-UHFFFAOYAN

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