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| CAS No.: | 2165-06-2 |
|---|---|
| Name: | 3-CHLORO-6-(4-METHYLPHENYL)-PYRIDAZINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H9ClN2 |
| Molecular Weight: | 204.66 |
| Synonyms: | 3-CHLORO-6-(4-METHYLPHENYL)-PYRIDAZINE;F1967-0373;3-chloro-6-p-tolyl-pyridazine;3-Chlor-6-p-tolyl-pyridazin; |
| Density: | 1.208 g/cm3 |
| Boiling Point: | 381 °C at 760 mmHg |
| Flash Point: | 216.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 25.78000 |
| LogP: | 3.10540 |
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- Total:16 Page 1 of 1 1
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Specification
The Pyridazine,3-chloro-6-(4-methylphenyl)- has CAS registry number 2165-06-2. This chemical's molecular formula is C11H9ClN2 and molecular weight is 204.66. What's more, its IUPAC name is 3-chloro-6-(4-methylphenyl)pyridazine.
Physical properties of Pyridazine,3-chloro-6-(4-methylphenyl)- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.54; (6)ACD/BCF (pH 7.4): 32.54; (7)ACD/KOC (pH 5.5): 420.88; (8)ACD/KOC (pH 7.4): 420.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 56.74 cm3; (15)Molar Volume: 169.3 cm3; (16)Polarizability: 22.49×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 216.1 °C; (20)Enthalpy of Vaporization: 60.45 kJ/mol; (21)Boiling Point: 381 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-p-tolyl-2H-pyridazin-3-one at the temperature of 55-60°C. This reaction will need reagent chlorosulfonyl isocyanate and solvent CHCl3 with the reaction time of 3 hours. The yield is about 77%.
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Uses of Pyridazine,3-chloro-6-(4-methylphenyl)-: it can be used to produce 3-(4-hydroxypiperidino)-6-(p-tolyl)pyridazine by heating. It will need solvent butan-1-ol with the reaction time of 3 hours. The yield is about 65%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nnc(c1ccc(cc1)C)cc2
(2)Std. InChI: InChI=1S/C11H9ClN2/c1-8-2-4-9(5-3-8)10-6-7-11(12)14-13-10/h2-7H,1H3
(3)Std. InChIKey: MCDSGZGKYCPLMT-UHFFFAOYSA-N