(1-NONYL)TRIPHENYLPHOSPHONIUM BROMIDE

The Phosphonium,nonyltriphenyl-, bromide (1:1) has CAS registry number 60902-45-6. Its EINECS number is 262-521-1. This chemical's molecular formula is C₂₇H₃₄BrP and molecular weight is 469.44. What's more, its IUPAC name is nonyl(triphenyl)phosphanium bromide.

Physical properties of Phosphonium,nonyltriphenyl-, bromide (1:1) are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/BCF (pH 5.5): 20439.04; (5)ACD/KOC (pH 5.5): 42365.68; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 4.93 Å²; (10)Index of Refraction: 1.678; (11)Molar Refractivity: 87.71 cm³; (12)Molar Volume: 232.4 cm³; (13)Surface Tension: 49.7 dyne/cm; (14)Density: 1.158 g/cm³; (15)Flash Point: 198.8 °C; (16)Enthalpy of Vaporization: 68.28 kJ/mol; (17)Boiling Point: 451.1 °C at 760 mmHg; (18)Vapour Pressure: 6.68E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by triphenylphosphane and 1-bromo-nonane by heating. This reaction will need reagent acetonitrile. The reaction time is 36 hours.

Uses of Phosphonium,nonyltriphenyl-, bromide (1:1): it can be used to produce 2,2'-(Bis-1-dec-1-enyl)biphenyl at the temperature of -60°C. It will need reagent nBuLi and solvent tetrahydrofuran. The yield is about 52%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin.What's more, the product is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCCCCCCCC
(2)Std. InChI: InChI=1S/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1
(3)Std. InChIKey: NJXRQGKTLWXMID-UHFFFAOYSA-M