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| CAS No.: | 3678-62-4 |
|---|---|
| Name: | 2-Chloro-4-picoline |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6ClN |
| Molecular Weight: | 127.573 |
| Synonyms: | 2-chloro-4-methyl-pyridine;2-Chloro-4-methylpyridine; |
| EINECS: | 222-951-2 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 115°C |
| Boiling Point: | 195.3 °C at 760 mmHg |
| Flash Point: | 89.6 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.04340 |
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Specification
The 2-Chloro-4-Methylpyridine is an organic compound with the formula C6H6ClN. The IUPAC name of this chemical is 2-chloro-4-methylpyridine. With the CAS registry number 3678-62-4, it is also named as Pyridine, 2-chloro-4-methyl-. The product's categories are Pyridine; Pyridine Derivative; Halides; Pyridines; Chloropyridines; Halopyridines. Besides, it is colorless to light yellow liquid, which should be stored in a dark cool and dry place.
Physical properties about 2-Chloro-4-Methylpyridine are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.86; (4)ACD/BCF (pH 5.5): 15.19; (5)ACD/BCF (pH 7.4): 15.19; (6)ACD/KOC (pH 5.5): 243.99; (7)ACD/KOC (pH 7.4): 244.01; (8)#H bond acceptors: 1 #H; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 34.06 cm3; (12)Molar Volume: 110.8 cm3; (13)Polarizability: 13.5×10-24cm3; (14)Surface Tension: 37.7 dyne/cm; (15)Density: 1.15 g/cm3; (16)Flash Point: 89.6 °C; (17)Enthalpy of Vaporization: 41.38 kJ/mol; (18)Boiling Point: 195.3 °C at 760 mmHg; (19)Vapour Pressure: 0.593 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methyl-1H-pyridin-2-one. This reaction will need reagent phosphorus oxychloride. The reaction time is 120 min with reaction temperature of 90 °C. The yield is about 74%.
Uses of 2-Chloro-4-Methylpyridine: it can be used to produce 2-methoxy-4-methyl-pyridine by heating. It will need reagent methanol. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nccc(c1)C
(2)InChI: InChI=1/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
(3)InChIKey: MZVSTDHRRYQFGI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
(5)Std. InChIKey: MZVSTDHRRYQFGI-UHFFFAOYSA-N