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Propyltriphenylphosphonium bromide

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Name

Propyltriphenylphosphonium bromide

EINECS 228-330-2
CAS No. 6228-47-3 Density N/A
PSA 13.59000 LogP 1.39450
Solubility soluble in water Melting Point 236-238 °C
Formula C21H22BrP Boiling Point N/A
Molecular Weight 385.283 Flash Point N/A
Transport Information N/A Appearance White to off-white crystalline powder
Safety 36/37-36/37/39-26 Risk Codes 36/37/38-21/22
Molecular Structure Molecular Structure of 6228-47-3 (Propyltriphenylphosphonium bromide) Hazard Symbols IrritantXi
Synonyms

Phosphonium,triphenylpropyl-, bromide (8CI,9CI);Triphenylpropylphosphonium bromide (7CI);NSC 50539;n-Propyltriphenylphosphoniumbromide;(n-Propyl)-triphenylphosphonium bromide;n-Propyltriphenylphosphonium bromide;phosphonium, triphenylpropyl-, bromide (1:1);Triphenyl(propyl)phosphonium bromide;

Article Data 22

Propyltriphenylphosphonium bromide Specification

The Propyltriphenylphosphonium bromide, with the CAS registry number 6228-47-3 and EINECS registry number 228-330-2, has the systematic name of triphenyl(propyl)phosphonium bromide. It is a kind of hygroscopic chemical, and belongs to the following product categories: Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction. And the molecular formula of this chemical is C21H22BrP.

The physical properties of Propyltriphenylphosphonium bromide are as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 0 Å2.

Uses of Propyltriphenylphosphonium bromide: It can react with cyclohexanone to produce propylidene-cyclohexane. This reaction will need reagent NaH, and the solvents dimethylsulfoxide and pentane. And the yield is about 40%. 

Propyltriphenylphosphonium bromide can react with cyclohexanone to produce propylidene-cyclohexane
 
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation and in contact with skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)CCC
(2)InChI: InChI=1/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
(3)InChIKey: XMQSELBBYSAURN-REWHXWOFAH

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