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76970-14-4

Basic Information
CAS No.: 76970-14-4
Name: 3-CHLORO-6-(3-METHOXYPHENYL)-PYRIDAZINE
Article Data: 2
Molecular Structure:
Molecular Structure of 76970-14-4 (3-CHLORO-6-(3-METHOXYPHENYL)-PYRIDAZINE)
Formula: C11H9ClN2O
Molecular Weight: 220.65
Synonyms: 3-CHLORO-6-(3-METHOXYPHENYL)-PYRIDAZINE;3-Chloro-6-(3-methoxyphenyl)-1,2-diazine, 3-(6-Chloropyridazin-3-yl)anisole
Density: 1.245 g/cm3
Boiling Point: 399.8 °C at 760 mmHg
Flash Point: 195.6 °C
Hazard Symbols: IrritantXi
PSA: 35.01000
LogP: 2.80560
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Specification

The Pyridazine,3-chloro-6-(3-methoxyphenyl)- has CAS registry number 76970-14-4. This chemical's molecular formula is C11H9ClN2O and molecular weight is 220.65. What's more, its systematic name is 3-chloro-6-(3-methoxyphenyl)pyridazine. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes. 

Physical properties of Pyridazine,3-chloro-6-(3-methoxyphenyl)- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.01 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 58.6 cm3; (11)Molar Volume: 177.1 cm3; (12)Polarizability: 23.23×10-24cm3; (13)Surface Tension: 46 dyne/cm; (14)Density: 1.245 g/cm3; (15)Flash Point: 195.6 °C; (16)Enthalpy of Vaporization: 62.52 kJ/mol; (17)Boiling Point: 399.8 °C at 760 mmHg; (18)Vapour Pressure: 3.08E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-(3-methoxy-phenyl)-2H-pyridazin-3-one by heating. This reaction will need reagent POCl3. The yield is about 57%.

Pyridazine,3-chloro-6-(3-methoxyphenyl)- can be prepared by 6-(3-methoxy-phenyl)-2H-pyridazin-3-one by heating

Uses of Pyridazine,3-chloro-6-(3-methoxyphenyl)-: it can be used to produce 6-(3-methoxy-phenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine by heating. It will need solvent butan-1-ol with the reaction time of 48 hours. The yield is about 46%.

Pyridazine,3-chloro-6-(3-methoxyphenyl)- can be used to produce 6-(3-methoxy-phenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine by heating

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(c1)c2ccc(nn2)Cl
(2)Std. InChI: InChI=1S/C11H9ClN2O/c1-15-9-4-2-3-8(7-9)10-5-6-11(12)14-13-10/h2-7H,1H3
(3)Std. InChIKey: SHTCMUJFWBYWLW-UHFFFAOYSA-N