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Malonic dihydrazide

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Name

Malonic dihydrazide

EINECS -0
CAS No. 3815-86-9 Density 1.358 g/cm3
PSA 110.24000 LogP -0.46130
Solubility N/A Melting Point 152-154°C
Formula C3H8N4O2 Boiling Point 554 °C at 760 mmHg
Molecular Weight 132.122 Flash Point 288.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3815-86-9 (Malonic dihydrazide) Hazard Symbols IrritantXi
Synonyms

Malonicacid, dihydrazide (6CI,7CI,8CI);Propanedioic acid, dihydrazide (9CI);Malondihydrazide;Malonhydrazide;Malonic acid hydrazide;Malonic dihydrazide;Malonoyl dihydrazine;Malonyl dihydrazide;Malonyl hydrazide;NSC 649;

Article Data 3

Malonic dihydrazide Specification

The Malonic dihydrazide, with the CAS registry number 3815-86-9, has the systematic name and IUPAC name of propanedihydrazide. It is also called Malonic acid, dihydrazide. And the molecular formula of the chemical is C3H8N4O2.

The characteristics of Malonic dihydrazide are as followings: (1)ACD/LogP: -3.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -3.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 30.26 cm3; (15)Molar Volume: 97.2 cm3; (16)Polarizability: 11.99×10-24cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 288.8 °C; (20)Enthalpy of Vaporization: 83.49 kJ/mol; (21)Boiling Point: 554 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-12 mmHg at 25°C.  

Preparation of Malonic dihydrazide: This chemical can be prepared by malonic acid diethyl ester. The reaction will need reagent hydrazine hydrate, and the menstruum ethanol. The reaction time is 5 hours with heating, and the yield is about 90%. 

Uses of Malonic dihydrazide: It can react with benzaldehyde to produce malonic acid bis-benzylidenehydrazide. It is a kind of Condensation reaction. This reaction will need reagent aq. ethanol. The reaction needs heating, and the yield is about 96%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NN)CC(=O)NN
(2)InChI: InChI=1/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)
(3)InChIKey: PSIKPHJLTVSQFO-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 259, 1961.

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