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| CAS No.: | 1011-46-7 |
|---|---|
| Name: | 4,5-Dihydro-6-phenyl-3(2H)-pyridazinone |
| Molecular Structure: | |
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|
|
| Formula: | C10H10N2O |
| Molecular Weight: | 174.202 |
| Synonyms: | 1,4,5,6-Tetrahydro-3-phenyl-6-pyridazinone;6-Phenyl-4,5-dihydro-3(2H)-pyridazinone;6-Phenyl-4,5-dihydropyridazin-3-one;LY 032542;NSC 51995; |
| Density: | 1.21 g/cm3 |
| Melting Point: |
151-154 °C(lit.) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 41.46000 |
| LogP: | 1.06510 |
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Specification
The 3(2H)-Pyridazinone,4,5-dihydro-6-phenyl- with CAS registry number of 1011-46-7 is also named 6-Phenyl-4,5-dihydro-3(2H)-pyridazinone. The IUPAC name is 3-Phenyl-4,5-dihydro-1H-pyridazin-6-one. Its product categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyridazines. In addition, the formula is C10H10N2O and the molecular weight is 174.20. This chemical is stable at normal temperature and pressure. It should be sealed in a ventilated and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.11; (8)ACD/KOC (pH 7.4): 25.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 50.49 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 20.01×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.21 g/cm3.
Preparation of 3(2H)-Pyridazinone,4,5-dihydro-6-phenyl-: it is prepared by reaction of 4-Oxo-4-phenyl-butyric acid. The reaction needs reagent Hydrazine hydrate and solvent Ethanol with other condition of heating 17 hours. The yield is about 84%.
-Pyridazinone,4,5-dihydro-6-phenyl-.png)
Uses of 3(2H)-Pyridazinone,4,5-dihydro-6-phenyl-: it is used to produce 2-(2-Hydroxy-ethyl)-6-phenyl-4,5-dihydro-2H-pyridazin-3-one by reaction with Oxirane. The reaction occurs with reagent 10 percent CH3ONa and solvent Methanol dimethylformamide. The yield is 80%.
-Pyridazinone,4,5-dihydro-6-phenyl-.png)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it's very toxic by inhalation and in contact with skin. When using this chemical, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
1. SMILES: O=C2N/N=C(/c1ccccc1)CC2
2. InChI: InChI=1/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
3. InChIKey:KSGYMLDMYPAMFV-UHFFFAOYAW
4. Std. InChI: InChI=1S/C10H10N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
5. Std. InChIKey: KSGYMLDMYPAMFV-UHFFFAOYSA-N