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| CAS No.: | 15456-86-7 |
|---|---|
| Name: | Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro- |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C4H3BrN2O2 |
| Molecular Weight: | 190.984 |
| Synonyms: | 3,6-Pyridazinedione,4-bromo-1,2-dihydro- (7CI,8CI,9CI);4-Bromo-1,2-dihydropyridazine-3,6-dione;NSC 79701;4-Bromo-pyridazine-3,6-diol;Pyridazine, 3,6-dione, 4-bromo-1,2-dihydro-; |
| EINECS: | 200-001-2 |
| Density: | 1.965 g/cm3 |
| PSA: | 65.98000 |
| LogP: | 0.23800 |
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Specification
The 3(2H)-Pyridazinone,4-bromo-6-hydroxy-, with the CAS registry number 15456-86-7, is also known as 4-Bromo-pyridazine-3,6-diol. This chemical's molecular formula is C4H3BrN2O2 and molecular weight is 190.98. What's more, its systematic name is 4-bromo-1,2-dihydropyridazine-3,6-dione.
Physical properties of 3(2H)-Pyridazinone,4-bromo-6-hydroxy- are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.86; (6)ACD/KOC (pH 7.4): 6.93; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 32.78 cm3; (13)Molar Volume: 97.1 cm3; (14)Polarizability: 12.99×10-24cm3; (15)Surface Tension: 54.6 dyne/cm; (16)Density: 1.965 g/cm3.
Preparation of 3(2H)-Pyridazinone,4-bromo-6-hydroxy-: this chemical can be prepared by bromo-maleic acid anhydride by heating. This reaction will need reagent N2H4·H2SO4 and solvent H2O with the reaction time of 6 hours. The yield is about 71%.
-Pyridazinone,4-bromo-6-hydroxy-.jpg)
Uses of 3(2H)-Pyridazinone,4-bromo-6-hydroxy-: it can be used to produce 3,4,6-trichloro-pyridazine by heating. It will need reagent POCl3 with the reaction time of 4 hours. The yield is about 84%.
-Pyridazinone,4-bromo-6-hydroxy-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\Br)=C/C(=O)NN1
(2)InChI: InChI=1S/C4H3BrN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)
(3)InChIKey: BMASTHFFAMGJKZ-UHFFFAOYSA-N