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CAS No.: | 10500-57-9 |
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Name: | 2,3-Cyclohexeno pyridine |
Article Data: | 114 |
Molecular Structure: | |
Formula: | C9H11N |
Molecular Weight: | 133.193 |
Synonyms: | 5.6.7.8-tetra-hydroquinoline;Quinoline, 5,6,7,8-tetrahydro-;2,3-Cyclohexenopyridine;5,6,7,8-Tetra-hydroquinoline;2,3-Cyclohexeno pyridine; |
EINECS: | 234-030-2 |
Density: | 1.029 g/cm3 |
Melting Point: | 222 °C |
Boiling Point: | 222.729 °C at 760 mmHg |
Flash Point: | 86.111 °C |
Appearance: | clear to yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 12.89000 |
LogP: | 1.96040 |
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The IUPAC name of this chemical is 2,3-Cyclohexenopyridine. With the CAS registry number 10500-57-9 and EINECS registry number 234-030-2, it is also named as 2,3-cyclohexenopyridine. In addition, the molecular formula is C9H11N. It belongs to the classes of Quinoline & Isoquinoline; API Intermediates; Quinoline Derivertives. And it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 2.161; (4)ACD/BCF (pH 5.5): 3.83; (5)ACD/BCF (pH 7.4): 25.356; (6)ACD/KOC (pH 5.5): 52.045; (7)ACD/KOC (pH 7.4): 344.583; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 41.13 cm3; (11)Molar Volume: 129.486 cm3; (12)Polarizability: 16.305 ×10-24cm3; (13)Surface Tension: 41.011 dyne/cm; (14)Density: 1.029 g/cm3; (15)Flash Point: 86.111 °C; (16)Enthalpy of Vaporization: 44.051 kJ/mol; (17)Boiling Point: 222.729 °C at 760 mmHg; (18)Vapour Pressure: 0.149 mmHg at 25°C.
Preparation of 2,3-Cyclohexenopyridine: it can be prepared by 3-(2-oxo-cyclohexyl)-propionaldehyde. This reaction will need reagent hydroxylamine hydrocloride and solvent ethanol. The reaction time is 2 hours by heating. The yield is about 43%.
Uses of 2,3-Cyclohexenopyridine: it can be used to get (+-)-cis-decahydroquinoline. This reaction will need reagents H2 and 5 percent Rh on alumina, and solvent acetic acid. The reaction time is 3 days at reaction temperature of 55 °C. The reaction pressure is 2068.6 Pa. And the yield is about 70%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(nc1)CCCC2
(2)InChI: InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2
(3)InChIKey: YQDGQEKUTLYWJU-UHFFFAOYAL