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CAS No.: | 19064-67-6 |
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Name: | 6-Chloropyridazin-3-ol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H3ClN2O |
Molecular Weight: | 130.534 |
Synonyms: | 6-chloropyridazin-3(2H)-one;3(2H)-Pyridazinone, 6-chloro-;3-Chloro-6-pyridazone;3-Hydroxy-6-chloropyridazine; |
Density: | 1.55 g/cm3 |
Melting Point: | 140.0 to 144.0 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 45.75000 |
LogP: | 0.42330 |
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The 6-Chloropyridazin-3-ol is an organic compound with the formula C4H3ClN2O. The IUPAC name of this chemical is 3-chloro-1H-pyridazin-6-one. With the CAS registry number 19064-67-6, it is also named as 3-Hydroxy-6-chloropyridazine. In addition, the molecular weight is 130.53.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.09; (8)ACD/KOC (pH 7.4): 31.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 29.98 cm3; (15)Molar Volume: 84 cm3; (16)Polarizability: 11.88×10-24 cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Tautomer Count: 2; (19)Exact Mass: 129.99339; (20)MonoIsotopic Mass: 129.99339; (21)Topological Polar Surface Area: 41.5; (22)Heavy Atom Count: 8; (23)Complexity: 173.
Uses of 6-Chloropyridazin-3-ol: It can react with 3-bromo-propionic acid ethyl ester to get 3-(3-chloro-6-oxo-6H-pyridazin-1-yl)-propionic acid ethyl ester. This reaction needs reagent K2CO3 and solvent acetone by heating. The reaction time is 24 hours. The yield is 70%.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl/C1=N/NC(=O)/C=C1
2. InChI:InChI=1/C4H3ClN2O/c5-3-1-2-4(8)7-6-3/h1-2H,(H,7,8)
3. InChIKey:YICPBKWYZXFJNB-UHFFFAOYAJ