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Name |
Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1) |
EINECS | 223-587-7 |
CAS No. | 3968-92-1 | Density | N/A |
PSA | 13.59000 | LogP | 1.78300 |
Solubility | N/A | Melting Point |
203-205 °C |
Formula | C22H24BrP | Boiling Point | N/A |
Molecular Weight | 399.31 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; | |
Synonyms |
Phosphonium,(1-methylpropyl)triphenyl-, bromide (9CI);Phosphonium, sec-butyltriphenyl-,bromide (8CI);sec-Butyltriphenylphosphonium bromide (7CI);2-Butyltriphenylphosphonium bromide; |
Article Data | 8 |
The Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1), with the CAS registry number 3968-92-1, is also known as sec-Butyl(triphenyl)phosphonium bromide. Its EINECS number is 223-587-7. This chemical's molecular formula is C22H24BrP and molecular weight is 399.3. What's more, its systematic name is (1-methylpropyl)(triphenyl)phosphonium bromide. It should be sealed and stored in a dark, ventilated and dry place at the ambient temperature.
Physical properties of Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1) are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 0 Å2.
Preparation: this chemical can be prepared by 2-bromo-butane and triphenylphosphane at the temperature of 160 °C. This reaction will need solvent xylene with the reaction time of 90 hours. The yield is about 80%.
Uses of Phosphonium,(1-methylpropyl)triphenyl-, bromide (1:1): it can be used to produce 1-methoxy-3-(2-methyl-but-1-enyl)-benzene at the temperature of 20 °C. It will need reagent n-BuLi and solvent tetrahydrofuran with the reaction time of 3 hours. The yield is about 59%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [Br-].c1ccccc1[P+](c2ccccc2)(c3ccccc3)C(CC)C
(2)InChI: InChI=1/C22H24P.BrH/c1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: HKWAYXKPYJOYEL-REWHXWOFAI