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1449-46-3

Basic Information
CAS No.: 1449-46-3
Name: Benzyltriphenylphosphonium bromide
Article Data: 96
Molecular Structure:
Molecular Structure of 1449-46-3 (Benzyltriphenylphosphonium bromide)
Formula: C25H22BrP
Molecular Weight: 433.327
Synonyms: Benzyltriphenylphosphoniumbromide (6CI,7CI);Phosphonium, benzyltriphenyl-, bromide (8CI);Phosphonium, triphenyl(phenylmethyl)-,bromide (9CI);(Phenylmethyl)triphenylphosphonium bromide;Bromo(benzyl)triphenylphosphorane;NSC 54813;PX 2H;Triphenyl(phenylmethyl)phosphonium bromide;Triphenylbenzylphosphonium bromide;U-CAT SA 5003;Benzyl triphenyl phosphonium bromide;phosphonium, triphenyl(phenylmethyl)-, bromide (1:1);
EINECS: 215-908-4
Melting Point: 295-298 °C(lit.)
Solubility: Soluble in water.
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 13.59000
LogP: 2.18470
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    Benzyltriphenylphosphonium bromide

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  • Benzyltriphenylphosphonium bromide

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    Benzyltriphenylphosphonium bromide

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  • Benzyltriphenylphosphonium bromide cas  1449-46-3

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    Benzyltriphenylphosphonium bromide

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  • BENZYLTRIPHENYLPHOSPHONIUM BROMIDE

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    1449-46-3

    BENZYLTRIPHENYLPHOSPHONIUM BROMIDE

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Specification

The Benzyltriphenylphosphonium bromide, with the CAS registry number 1449-46-3 and EINECS registry number 215-908-4, has the systematic name and IUPAC name of benzyl(triphenyl)phosphanium bromide. It is a kind of white crystalline powder, and it is also hygroscopic. The molecular formula of this chemical is C25H22BrP.

The physical properties of Benzyltriphenylphosphonium 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.

Preparation of Benzyltriphenylphosphonium bromide: This chemical can be prepared by bromomethyl-benzene and triphenylphosphane. The reaction needs solvent toluene. The reaction time is 8 hours with heating. 

Benzyltriphenylphosphonium bromide can be prepared by bromomethyl-benzene and triphenylphosphane

Uses of Benzyltriphenylphosphonium bromide: It can react with 4-methyl-oxetan-2-one to produce 4-hydroxy-1-phenyl-1-(triphenyl-l5-phosphanylidene)-pentan-2-one. This reaction will need reagent tBuOK, and the solvent toluene. The reaction temperature is 40°C, and the yield is about 50%.    

Benzyltriphenylphosphonium bromide can react with 4-methyl-oxetan-2-one to produce 4-hydroxy-1-phenyl-1-(triphenyl-l5-phosphanylidene)-pentan-2-one  

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and 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-].c1(ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
(3)InChIKey: WTEPWWCRWNCUNA-REWHXWOFAM