2-Hexylpyridine

The IUPAC name of 2-Hexylpyridine is 2-Hexylpyridine. With the CAS registry number 1129-69-7, it is also named as Pyridine, 2-hexyl-. In addition, its molecular formula is C₁₁H₁₇N and molecular weight is 163.26.

The other characteristics of this product can be summarized as: (1)EINECS: 214-454-4; (2)FEMA: 4065; (3)ACD/LogP: 3.84; (4)# of Rule of 5 Violations: 0; (5)ACD/LogD (pH 5.5): 3.26; (6)ACD/LogD (pH 7.4): 3.83; (7)ACD/BCF (pH 5.5): 129.27; (8)ACD/BCF (pH 7.4): 473.67; (9)ACD/KOC (pH 5.5): 773.44; (10)ACD/KOC (pH 7.4): 2834.02; (11)H bond acceptors: 1; (12)H bond donors: 0; (13)Freely Rotating Bonds: 5; (14)Polar Surface Area: 12.89 Å²; (15)Index of Refraction: 1.489; (16)Molar Refractivity: 52.42 cm³; (17)Molar Volume: 181.5 cm³; (18)Polarizability: 20.78×10^-24cm³; (19)Surface Tension: 33.6 dyne/cm; (20)Density: 0.899 g/cm³; (21)Flash Point: 98.9 °C; (22)Enthalpy of Vaporization: 44.58 kJ/mol; (23)Boiling Point: 228.1 °C at 760 mmHg; (24)Vapour Pressure: 0.112 mmHg at 25 °C.

Preparation of 2-Hexylpyridine: this chemical can be prepared by N-Hexylzinc chloride and 2-Bromo-pyridine.



This reaction needs Pd(PPh₃)₄ and Tetrahydrofuran at ambient temperature. The reaction time is 0.5 hour. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: 2-Hexylpyridine is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:n1ccccc1CCCCCC
(2)InChI:InChI=1/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
(3)InChIKey:NZLJDTKLZIMONR-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C11H17N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h6-7,9-10H,2-5,8H2,1H3
(5)Std. InChIKey:NZLJDTKLZIMONR-UHFFFAOYSA-N

The toxicity data is as follows: