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| CAS No.: | 581-50-0 |
|---|---|
| Name: | 2,3'-Bipyridine |
| Article Data: | 99 |
| Molecular Structure: | |
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|
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| Formula: | C10H8N2 |
| Molecular Weight: | 156.187 |
| Synonyms: | 2,3'-Bipyridyl;2,3'-Dipyridine;2,3'-Dipyridyl;2-(3-Pyridinyl)pyridine;2-(3-Pyridyl)pyridine;3-(2-Pyridyl)pyridine;Isonicoteine;a,b-Bipyridine;a,b-Dipyridyl; |
| EINECS: | 209-468-2 |
| Density: | 1.106g/cm3 |
| Melting Point: | 30-32 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 295.3 °C at 760 mmHg |
| Flash Point: | 111.4 °C |
| Appearance: | pale yellow oil |
| Hazard Symbols: |
 Xi
|
| PSA: | 25.78000 |
| LogP: | 2.14360 |
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Specification
The 2,3'-Bipyridine with the CAS number 581-50-0 is also called 2-(3-Pyridinyl)pyridine. The IUPAC name is 2-pyridin-3-ylpyridine. Its molecular formula is C10H8N2. The EINECS registry number is 209-468-2. This chemical belongs to the following product categories: (1)Metabolites; (2)Nicotine Derivatives. It is pale yellow oil.
The properties of the 2,3'-Bipyridine are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.84; (6)ACD/BCF (pH 7.4): 5.87; (7)ACD/KOC (pH 5.5): 122.81; (8)ACD/KOC (pH 7.4): 123.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 47.02 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 18.64×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 51.36 kJ/mol; (19)Vapour Pressure: 0.00271 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of 2-bromo-pyridine and 3-Trimethylstannylpyridin. This reaction needs reagent ((C6H5)3P)4Pd and solvent xylene at heating condition. The reaction time is 12 hours. The yield is 59%.
Uses: This chemical can iodomethane to prepare 1'-methyl-[2,3']bipyridylium; iodide. This reaction needs reagent ethanol.
You can still convert the following datas into molecular structure:
(1)SMILES: n2cc(c1ncccc1)ccc2
(2)InChI: InChI=1/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
(3)InChIKey: VEKIYFGCEAJDDT-UHFFFAOYAF
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 175mg/kg (175mg/kg) | Experientia. Vol. 32, Pg. 684, 1976. |