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| CAS No.: | 644-98-4 |
|---|---|
| Name: | 2-ISOPROPYL PYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H11N |
| Molecular Weight: | 121.182 |
| Synonyms: | 2-(2-Pyridyl)propane;Pyridine,2-isopropyl- (6CI,7CI,8CI);2-Isopropylpyridine;NSC42615; |
| EINECS: | 211-426-3 |
| Density: | 0.912 g/cm3 |
| Melting Point: | -141°C |
| Boiling Point: | 159.8 °C at 760 mmHg |
| Flash Point: | 23.2 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.20500 |
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Specification
The Pyridine,2-(1-methylethyl)-, with the CAS registry number 644-98-4, is also known as 2-Isopropyl pyridine. Its EINECS registry number is 211-426-3. This chemical's molecular formula is C8H11N and molecular weight is 121.1796. What's more, its IUPAC name is 2-Propan-2-ylpyridine.
Physical properties about Pyridine,2-(1-methylethyl)- are: (1)ACD/LogP: 2.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 6.89; (6)ACD/BCF (pH 7.4): 21.26; (7)ACD/KOC (pH 5.5): 99.88; (8)ACD/KOC (pH 7.4): 307.99; (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: 1.492; (14)Molar Refractivity: 38.52 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 15.27×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 23.2 °C; (20)Enthalpy of Vaporization: 38.01 kJ/mol; (21)Boiling Point: 159.8 °C at 760 mmHg; (22)Vapour Pressure: 3.2 mmHg at 25 °C.
Preparation of Pyridine,2-(1-methylethyl)-: this chemical can be prepared by N'-(4-[1,3]dioxolan-2-yl-1-isopropyl-butylidene)-N,N-dimethyl-hydrazine. This reaction needs reagent Actic acid. The reaction time is 4 hours and the yield is 40%.
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Uses of Pyridine,2-(1-methylethyl)-: it can react with Chloro-methylsulfanyl-methane to give 2-[1,1-Dimethyl-2-(methylthio)ethyl]pyridine. This reaction will occur at temperature of -78 °C for 12 hours. The yield is 46%.
When you are dealing with this chemical, you should be very careful. This chemical irritats to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1C(C)C
(2) InChI: InChI=1/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3
(3) InChIKey: PFYPDUUXDADWKC-UHFFFAOYAC