CAS No.253-52-1,Phthalazine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	253-52-1
Name:	Phthalazine
Article Data:	28

Formula:	C₈H₆N₂
Molecular Weight:	130.149
Synonyms:	2,3-Benzodiazine;2,3-Diazanaphthalene;Benzo[d]pyridazine;NSC 62484;NSC 63241;b-Phenodiazine;
EINECS:	205-963-2
Density:	1.183 g/cm³
Melting Point:	89-92 °C(lit.)
Boiling Point:	315.999 °C at 760 mmHg
Flash Point:	162.542 °C
Solubility:	Soluble in water, but soluble in methanol, ethanol, benzene, ethyl acetate, less soluble in ethyl ether, insoluble in petroleum ether
Appearance:	slightly brown to beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-37/39-36-26
PSA:	25.78000
LogP:	1.62980

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Specification

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%.

Phthalazine can be prepared by 1,4-dihydrazino-phthalazine

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%.

Phthalazine can be used to produce 2-methyl-phthalazinium; iodide by heating

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