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CAS No.: | 1449-46-3 |
---|---|
Name: | Benzyltriphenylphosphonium bromide |
Article Data: | 96 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 13.59000 |
LogP: | 2.18470 |
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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.
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%.
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