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| CAS No.: | 3815-86-9 |
|---|---|
| Name: | Malonic dihydrazide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C3H8N4O2 |
| Molecular Weight: | 132.122 |
| 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; |
| EINECS: | -0 |
| Density: | 1.358 g/cm3 |
| Melting Point: | 152-154°C |
| Boiling Point: | 554 °C at 760 mmHg |
| Flash Point: | 288.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 110.24000 |
| LogP: | -0.46130 |
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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. |