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| CAS No.: | 1122-70-9 |
|---|---|
| Name: | 2-METHYL-6-VINYLPYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H9N |
| Molecular Weight: | 119.166 |
| Synonyms: | 2-Picoline,6-vinyl- (8CI);2-Methyl-6-vinylpyridine; |
| EINECS: | 214-357-7 |
| Density: | 0.954 g/cm3 |
| Melting Point: | 248-250?°C(lit.) |
| Boiling Point: | 171.2 °C at 760 mmHg |
| Flash Point: | 53.7 °C |
| Risk Codes: | 10-20/21/22-34-36 |
| Safety: | 24/25-26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.03300 |
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Specification
The Pyridine,2-ethenyl-6-methyl-, with its CAS registry number 1122-70-9, has the IUPAC name of 2-ethenyl-6-methylpyridine. And it has the molecular formula of C8H9N and the molecular weight of 119.16. Besides, it belongs to the product categories which include Pharmacetical.
The characteristics of Pyridine,2-ethenyl-6-methyl- are as follows: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.832; (4)ACD/LogD (pH 7.4): 2.137; (5)ACD/BCF (pH 5.5): 12.246; (6)ACD/BCF (pH 7.4): 24.705; (7)ACD/KOC (pH 5.5): 170.674; (8)ACD/KOC (pH 7.4): 344.312; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 40.093 cm3; (15)Molar Volume: 124.88 cm3; (16)Polarizability: 15.894×10-24cm3; (17)Surface Tension: 35.132 dyne/cm; (18)Density: 0.954 g/cm3; (19)Flash Point: 53.695 °C; (20)Enthalpy of Vaporization: 39.086 kJ/mol; (21)Boiling Point: 171.215 °C at 760 mmHg; (22)Vapour Pressure: 1.88 mmHg at 25°C; (23)Exact Mass: 119.073499; (24)MonoIsotopic Mass: 119.073499; (25)Topological Polar Surface Area: 12.9; (26)Heavy Atom Count: 9; (27)Complexity: 98.7; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Acceptor Count: 1; (30)Feature 3D Hydrophobe Count: 1; (31)Feature 3D Ring Count: 1.
Production method of this chemical: 2-methyl-pyridine could react with ethynylmagnesium bromide to produce Pyridine,2-ethenyl-6-methyl-. And this reaction could happen in the reagent of resin-bound chloroformate and NaOMe and the solvent of tetrahydrofuran and methanol.
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Use of this chemical: Pyridine,2-ethenyl-6-methyl- could react to produce 2-methyl-5-(6-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-quinoline, and this reaction could happen in the reagent of polyphosphoric acid and the solvent of aq. H3PO4 with the reaction temperature of 180 - 200 °C for 8 hours.
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When you are dealing with this chemical, you should be cautious. This chemical is irritating to eyes, and it is harmful if by inhalation, in contact with skin and if swallowed. Then it could even cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and avoid contacting with skin and eyes. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC(=N1)C=C
(2)InChI: InChI=1S/C8H9N/c1-3-8-6-4-5-7(2)9-8/h3-6H,1H2,2H3
(3)InChIKey: VMWGBWNAHAUQIO-UHFFFAOYSA-N