5-PHENYL-1-PENTYNE

This chemical is called Benzene, 4-pentyn-1-yl-, and its systematic name is pent-4-yn-1-ylbenzene. With the molecular formula of C₁₁H₁₂, its molecular weight is 144.21. The CAS registry number of this chemical is 1823-14-9.

Other characteristics of the Benzene, 4-pentyn-1-yl- can be summarised as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 291.68; (6)ACD/BCF (pH 7.4): 291.68; (7)ACD/KOC (pH 5.5): 2022.94; (8)ACD/KOC (pH 7.4): 2022.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 47.52 cm³; (15)Molar Volume: 155.5 cm³; (16)Polarizability: 18.84×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.927 g/cm³; (19)Flash Point: 72 °C; (20)Enthalpy of Vaporization: 43.1 kJ/mol; (21)Boiling Point: 213 °C at 760 mmHg; (22)Vapour Pressure: 0.245 mmHg at 25°C.

Uses of this chemical: The Benzene, 4-pentyn-1-yl- could react with acetaldehyde, and obtain the 7-phenyl-3-heptyn-2-ol. This reaction needs the reagent of 1.55M n-BuLi/hexane, and the solvent of tetrahydrofuran. The yield is 62 %. In addition, this reaction should be taken for 50 minutes at 0 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: C#CCCCc1ccccc1
2.InChI: InChI=1/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2
3.InChIKey: KOSORCNALVBYBP-UHFFFAOYAU