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| CAS No.: | 1071-93-8 |
|---|---|
| Name: | Hexanedioicacid, 1,6-dihydrazide |
| Article Data: | 30 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H14N4O2 |
| Molecular Weight: | 174.203 |
| Synonyms: | Adipicacid, dihydrazide (6CI,7CI,8CI);Hexanedioic acid, dihydrazide (9CI);ADH(hydrazide);ADH 4S;ADH-J;ADH-S;Adipoyl dihydrazide;Adipoyl hydrazide;Adipoyldihydrazine;BK 1000Z;BT 1000Z;NSC 29542;NSC 3378;Qualimer ADH; |
| EINECS: | 213-999-5 |
| Density: | 1.186 g/cm3 |
| Melting Point: | 175-182 °C |
| Boiling Point: | 519.3 °C at 760 mmHg |
| Flash Point: | 267.9 °C |
| Solubility: | 100 mg/mL in water |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| Transport Information: | N/A |
| PSA: | 110.24000 |
| LogP: | 0.70900 |
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The IUPAC name of Adipic acid dihydrazide is hexanedihydrazide. With the CAS registry number 1071-93-8 and EINECS 213-999-5, it is also named as Hexanedioic acid dihydrazide. The product's categories are Industrial / Fine Chemicals; Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Ester Series; Homobifunctional Cross-Linking Reagents; Protein Modification; Carbonyl Compounds; Hydrazides; Organic Building Blocks. It is white to slightly yellow crystalline powder which is toxic and flammable. When heated to decomposition it emits toxic fumes of NOx. So the storage environment should be well-ventilated, low-temperature and dry. Keep Adipic acid dihydrazide separate from raw materials of food.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.67; (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: 7; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 44.16 cm3; (15)Molar Volume: 146.8 cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Enthalpy of Vaporization: 79.2 kJ/mol; (18)Vapour Pressure: 6.92E-11 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Tautomer Count: 3; (21)Exact Mass: 174.111676; (22)MonoIsotopic Mass: 174.111676; (23)Topological Polar Surface Area: 110; (24)Heavy Atom Count: 12; (25)Complexity: 142.
Preparation of Adipic acid dihydrazide: It can be obtained by hexanedioic acid dimethyl ester. This reaction needs reagent N2H4*H2O and solvent diisopropyl ether at ambient temperature. The reaction time is 24 hours. The yield is 72%.
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Uses of Adipic acid dihydrazide: It is used for cross-linking water-based emulsions. It can also be used as a hardener for certain epoxy resins. In addition, it can react with 2-hydroxy-benzaldehyde to get disalicylaldehyde adipoyldihydrazone. This reaction needs solvent methanol by heating. The yield is 90%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should not breathe dust and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(NN)CCCCC(=O)NN
2. InChI:InChI=1/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
3. InChIKey:IBVAQQYNSHJXBV-UHFFFAOYAB
