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| CAS No.: | 996-98-5 |
|---|---|
| Name: | Oxalyl dihydrazide |
| Article Data: | 52 |
| Molecular Structure: | |
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| Formula: | C2H6N4O2 |
| Molecular Weight: | 118.095 |
| Synonyms: | NSC 264;Bis-(1,4-diamine-1,4-diaza-2,3-dioxobutane);Oxalic acid, dihydrazide (6CI,7CI,8CI);Ethanedioicacid, dihydrazide (9CI);Oxaldihydrazide;Oxalhydrazide;Oxalic acid bishydrazide;Oxalic acid hydrazide;Oxalicdihydrazide;Oxaloyldihydrazine;Oxaloylhydrazine;Oxalyldihydrazide;Oxalyl hydrazide; |
| EINECS: | 213-640-2 |
| Density: | 1.461 g/cm3 |
| Melting Point: | 242-244 °C (dec.)(lit.) |
| Boiling Point: | 220.6°C (rough estimate) |
| Solubility: | almost transparency in hot Water |
| Appearance: | white to slightly yellow crystals or cryst. powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 110.24000 |
| LogP: | -0.85140 |
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Specification
The Oxalyl dihydrazide, with the CAS registry number 996-98-5 and EINECS registry number 213-640-2, has the systematic name and IUPAC name of ethanedihydrazide. It is a kind of white to slightly yellow crystals or powder, and belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. And the molecular formula of this chemical is C2H6N4O2.
The physical properties of Oxalyl dihydrazide are as followings: (1)ACD/LogP: -2.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.32; (4)ACD/LogD (pH 7.4): -2.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.3; (8)ACD/KOC (pH 7.4): 1.3; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 25.63 cm3; (15)Molar Volume: 80.7 cm3; (16)Polarizability: 10.16×10-24cm3; (17)Surface Tension: 72.6 dyne/cm; (18)Density: 1.461 g/cm3.
Uses of Oxalyl dihydrazide: It can react with carbon disulfide to produce bis-(1,3,4-oxadiazol-2-yl)-5-thiol. This reaction will need reagent aq. KOH, and the solvent methano. The reaction time is 6 hour with heating, and the yield is about 58.7%.
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, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)C(=O)NN
(2)InChI: InChI=1/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)
(3)InChIKey: SWRGUMCEJHQWEE-UHFFFAOYAQ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 259, 1961. |