(3-BROMOPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

The Phosphonium,(3-bromopropyl)triphenyl-, bromide (1:1), with the CAS registry number 3607-17-8 and EINECS registry number 222-770-9, has the systematic name of (3-bromopropyl)(triphenyl)phosphonium bromide. It is a kind of white to off-white crystalline powder, and belongs to the following product categories: Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents. And the molecular formula of the chemical is C₂₁H₂₁Br₂P.

The characteristics of Phosphonium,(3-bromopropyl)triphenyl-, bromide (1:1) are as followings: (1)H-Bond Donor 0; (2)H-Bond Acceptor 1; (3)Rotatable Bond Count 6; (4)Exact Mass 463.972716; (5)MonoIsotopic Mass 461.974762; (6)Topological Polar Surface Area 0; (7)Heavy Atom Count 24; (8)Formal Charge 0; (9)Complexity 279; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2. 

Preparation of Phosphonium,(3-bromopropyl)triphenyl-, bromide (1:1): This chemical can be prepared by triphenylphosphane and 1,3-dibromo-propane. The reaction will need the menstruum toluene. The reaction time is 5 hours with heating, and the yield is about 66%. 

Uses of Phosphonium,(3-bromopropyl)triphenyl-, bromide (1:1): It can react with pentanal to produce n-pentylidene cyclopropane. This reaction will need reagent 50% NaH, and the yield is about 40%.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Br-].BrCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1
(3)InChIKey: ZAHUZZUGJRPGKW-REWHXWOFAA