3-CHLORO-6-PHENYLPYRIDAZINE

The CAS register number of Pyridazine,3-chloro-6-phenyl- is 20375-65-9. It also can be called as 6-Chloro-3-phenylpyridazine and the IUPAC name about this chemical is 3-chloro-6-phenylpyridazine. The molecular formula about this chemical is C₁₀H₇ClN₂ and the molecular weight is 190.63. It belongs to the following product categories which include Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridazines; PyridazinesHeterocyclic Building Blocks and so on.

Physical properties about Pyridazine,3-chloro-6-phenyl- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.54; (5)ACD/BCF (pH 7.4): 14.54; (6)ACD/KOC (pH 5.5): 236.53; (7)ACD/KOC (pH 7.4): 236.53; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78Ų; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 51.92 cm³; (13)Molar Volume: 153.1 cm³; (14)Polarizability: 20.58x10^-24cm³; (15)Surface Tension: 48.8 dyne/cm; (16)Enthalpy of Vaporization: 59.81 kJ/mol; (17)Boiling Point: 375 °C at 760 mmHg; (18)Vapour Pressure: 1.73E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylboronic acid and 3-Chloro-6-iodopyridazine. This reaction is a kind of Substitution. This reaction will need reagent Pd(PPh₃)₂Cl₂, aq. Na₂CO₃ and solvent 1,2-dimethoxy-ethane. The reaction time is 12 hour(s) with reaction temperature of 100 °C. The yield is about 85%.

Uses of Pyridazine,3-chloro-6-phenyl: it can be used to produce 6-phenyl-2-H-pyridazine-3-thione at heating. This reaction will need reagent thiourea and solvent ethanol with reaction time of 30 min. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nnc(c1ccccc1)cc2
(2)InChI: InChI=1/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: BUBRFWDEAVIFMV-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: BUBRFWDEAVIFMV-UHFFFAOYSA-N