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| CAS No.: | 3558-69-8 |
|---|---|
| Name: | 2,6-DIPHENYLPYRIDINE |
| Article Data: | 143 |
| Molecular Structure: | |
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| Formula: | C17H13N |
| Molecular Weight: | 231.297 |
| Synonyms: | 2,6-Diphenylpyridine;NSC 133378; |
| EINECS: | 222-620-2 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 73-77 °C |
| Boiling Point: | 397 °C at 760 mmHg |
| Flash Point: | 166.4 °C |
| Solubility: | 2.290 mg/L in water at 25 ºC |
| Appearance: | white to almost white crystals or powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36/37-26 |
| PSA: | 12.89000 |
| LogP: | 4.41560 |
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Specification
The Pyridine, 2,6-diphenyl- has the CAS registry number 3558-69-8. Its EINECS number is 222-620-2. This chemical's molecular formula is C17H13N and molecular weight is 231.29. What's more, its IUPAC name is 2,6-diphenylpyridine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of Pyridine, 2,6-diphenyl- are: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2655.43; (6)ACD/BCF (pH 7.4): 2710.72; (7)ACD/KOC (pH 5.5): 9772.72; (8)ACD/KOC (pH 7.4): 9976.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 73.52 cm3; (15)Molar Volume: 213.2 cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.084 g/cm3; (18)Flash Point: 166.4 °C; (19)nthalpy of Vaporization: 62.21 kJ/mol; (20)Boiling Point: 397 °C at 760 mmHg; (21)Vapour Pressure: 3.75E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by ethynylbenzene, 6-ethoxy-3-phenyl-6H-1,2-oxazine at the temperature of -78 - 20 °C. This reaction will need reagent BF3·OEt2 and solvent CH2Cl2 with the reaction time of 23 hours. The yield is about 67%.
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Uses of Pyridine, 2,6-diphenyl-: it can be used to produce 1-Ethyl-2,6-diphenylpirydinium Tetrafluoroborate by heating. It will need solvent 1,2-dichloro-ethane with the reaction time of 4 hours. The yield is about 98%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should avoid contacting with skin and eyes. You need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H
(3)InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N