4-IODOPENTYLBENZENE

The Benzene,1-iodo-4-pentyl-, with CAS registry number 85017-60-3, has the systematic name of 1-iodo-4-pentylbenzene. Besides this, it is also called 4-Iodopentylbenzene. And the chemical formula of this chemical is C₁₁H₁₅I.

Physical properties of Benzene,1-iodo-4-pentyl-: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16031.04; (6)ACD/BCF (pH 7.4): 16031.04; (7)ACD/KOC (pH 5.5): 35604.01; (8)ACD/KOC (pH 7.4): 35604.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 62.6 cm³; (15)Molar Volume: 193.8 cm³; (16)Polarizability: 24.81×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.414 g/cm³; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.45 kJ/mol; (21)Boiling Point: 266.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-pentyl-aniline. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-iodo-4-pentyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)CCCCC
(2)InChI: InChI=1/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(3)InChIKey: MTRMOYSZRPLAOL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
(5)Std. InChIKey: MTRMOYSZRPLAOL-UHFFFAOYSA-N