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| CAS No.: | 5784-45-2 |
|---|---|
| Name: | 1-CHLOROPHTHALAZINE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C8H5ClN2 |
| Molecular Weight: | 164.594 |
| Synonyms: | 1-Chlorophthalazine;NSC 71104; |
| Density: | 1.349g/cm3 |
| Melting Point: | 109-112°C |
| Boiling Point: | 364.3 °C at 760 mmHg |
| Flash Point: | 205.6 °C |
| Solubility: | Insoluble in water. Soluble in dichloromethane, ethanol and methanol. |
| Appearance: | Brown Solid |
| Hazard Symbols: |
 Xi
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| PSA: | 25.78000 |
| LogP: | 2.28320 |
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Specification
The 1-Chlorophthalazine with the CAS number 5784-45-2 is also called Phthalazine, 1-chloro-. Its molecular formula is C8H5ClN2. This chemical belongs to the following product categories: (1)Aromatics Compounds; (2)Aromatics.
The properties of the 1-Chlorophthalazine are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 25.78 Å2; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 45.17 cm3; (9)Molar Volume: 121.9 cm3; (10)Polarizability: 17.9×10-24cm3; (11)Surface Tension: 57.1 dyne/cm; (12)Enthalpy of Vaporization: 58.64 kJ/mol; (13)Vapour Pressure: 3.56×10-5 mmHg at 25°C.
Uses: This chemical can react with ethanol; sodium salt to prepare 1-ethoxy-phthalazine. This reaction needs solvent ethanol at heating condition. The reaction time is 1.0 hour. The yield is 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nncc1c2cccc1
(2)InChI: InChI=1/C8H5ClN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
(3)InChIKey: UCOVESIAFFGEOR-UHFFFAOYAX