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CAS No.: | 2378-86-1 |
---|---|
Name: | (4-METHYLBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C26H24BrP |
Molecular Weight: | 447.354 |
Synonyms: | (p-Methylbenzyl)triphenylphosphoniumbromide (6CI,7CI);Phosphonium, (p-methylbenzyl)triphenyl-, bromide (8CI);Phosphonium, [(4-methylphenyl)methyl]triphenyl-, bromide (9CI);4-Methylbenzyltriphenylphosphonium bromide;NSC 77141; |
EINECS: | 219-159-4 |
Melting Point: | 268-270°C |
Hazard Symbols: | R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 13.59000 |
LogP: | 2.49310 |
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The Phosphonium,[(4-methylphenyl)methyl]triphenyl-, bromide (1:1) is an organic compound with the formula C26H24BrP. The IUPAC name of this chemical is (4-methylphenyl)methyl-triphenylphosphanium bromide. With the CAS registry number 2378-86-1, it is also named as [(4-methylphenyl)methyl]triphenylphosphine, bromide. The product's category is Ligand.
Preparation of Phosphonium,[(4-methylphenyl)methyl]triphenyl-, bromide (1:1): this chemical can be prepared by 1-bromomethyl-4-methyl-benzene and triphenylphosphane. This reaction is a kind of Substitution. This reaction will need solvent benzene. The reaction time is 12 hours by heating.
Uses of Phosphonium,[(4-methylphenyl)methyl]triphenyl-, bromide (1:1): it can be used to produce [α-(Dichlorphosphanyl)-4-methylbenzyliden]triphenylphosphoran at ambient temperature. It will need reagents triethylamine, PCl3 and solvent CH2Cl2 with reaction time of 15 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].c1(ccc(cc1)C)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
(3)InChIKey: CEEKCHGNKYVTTM-REWHXWOFAQ
(4)Std. InChI: InChI=1S/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: CEEKCHGNKYVTTM-UHFFFAOYSA-M