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67820-83-1

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Basic Information
CAS No.: 67820-83-1
Name: 6-CHLORO-4-METHYL-3-PHENYL-PYRIDAZINE
Article Data: 5
Molecular Structure:
Molecular Structure of 67820-83-1 (6-CHLORO-4-METHYL-3-PHENYL-PYRIDAZINE)
Formula: C11H9ClN2
Molecular Weight: 204.659
Synonyms: AURORA KA-554;6-CHLORO-4-METHYL-3-PHENYL-PYRIDAZINE
Density: 1.208 g/cm3
Boiling Point: 364.9 °C at 760 mmHg
Flash Point: 205.9 °C
PSA: 25.78000
LogP: 3.10540
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Specification

The Pyridazine,6-chloro-4-methyl-3-phenyl- has CAS registry number 67820-83-1. This chemical's molecular formula is C11H9ClN2 and molecular weight is 204.66. What's more, its IUPAC name is 6-chloro-4-methyl-3-phenylpyridazine.

Physical properties of Pyridazine,6-chloro-4-methyl-3-phenyl- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 56.74 cm3; (9)Molar Volume: 169.3 cm3; (10)Polarizability: 22.49×10-24cm3; (11)Surface Tension: 46.5 dyne/cm; (12)Density: 1.208 g/cm3; (13)Flash Point: 205.9 °C; (14)Enthalpy of Vaporization: 58.71 kJ/mol; (15)Boiling Point: 364.9 °C at 760 mmHg; (16)Vapour Pressure: 3.43E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methyl-6-phenyl-2H-pyridazin-3-one at the temperature of 80°C. This reaction will need reagent POCl3 with the reaction time of 4 hours. The yield is about 95%.

Pyridazine,6-chloro-4-methyl-3-phenyl- can be prepared by 5-methyl-6-phenyl-2H-pyridazin-3-one at the temperature of 80°C

Uses of Pyridazine,6-chloro-4-methyl-3-phenyl-: it can be used to produce 5-methyl-6-phenyl-2H-pyridazin-3-one by heating. It will need reagent AcOH with the reaction time of 3 hours. The yield is about 63%.

Pyridazine,6-chloro-4-methyl-3-phenyl- can be used to produce 5-methyl-6-phenyl-2H-pyridazin-3-one by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nnc(c1ccccc1)c(c2)C
(2)Std. InChI: InChI=1S/C11H9ClN2/c1-8-7-10(12)13-14-11(8)9-5-3-2-4-6-9/h2-7H,1H3
(3)Std. InChIKey: SLWRMNONFLILEO-UHFFFAOYSA-N