Phthalazine

Phthalazine is an organic compound with the formula C₈H₆N₂, and its systematic name is the same with the product name. With the CAS registry number 253-52-1, it is also named as 2,3-Diazanaphthalene. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyridazines. Its EINECS number is 205-963-2. In addition, the molecular weight is 130.15. This chemical is used as biochemical reagents.

Physical properties of Phthalazine are: (1)ACD/LogP: 0.677; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.91; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 55.09; (8)ACD/KOC (pH 7.4): 55.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 40.278 cm³; (15)Molar Volume: 109.997 cm³; (16)Polarizability: 15.967×10^-24cm³; (17)Surface Tension: 54.89 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 162.542 °C; (20)Enthalpy of Vaporization: 53.509 kJ/mol; (21)Boiling Point: 315.999 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of Phthalazine: this chemical can be prepared by 1,4-dihydrazino-phthalazine. This reaction will need reagents NaOH, O₂ and solvent ethanol with the reaction time of 2.5 hours. The yield is about 68%.

Uses of Phthalazine: it can be used to produce 2-methyl-phthalazinium; iodide by heating. It will need solvent methanol with the reaction time of 3 hours. The yield is about 98%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: n2ncc1ccccc1c2 ;
(2)Std. InChI:InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
(3)Std. InChIKey: LFSXCDWNBUNEEM-UHFFFAOYSA-N