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Name |
Heptyltriphenylphosphonium bromide |
EINECS | 236-539-5 |
CAS No. | 13423-48-8 | Density | N/A |
PSA | 13.59000 | LogP | 2.95490 |
Solubility | N/A | Melting Point |
173-176 °C(lit.) |
Formula | C25H30BrP | Boiling Point | N/A |
Molecular Weight | 441.391 | Flash Point | N/A |
Transport Information | N/A | Appearance | white fine crystalline powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Heptyltriphenylphosphoniumbromide (7CI);Phosphonium, heptyltriphenyl-, bromide (8CI,9CI);Triphenylheptylphosphonium bromide;n-Heptyltriphenylphosphonium bromide; |
Article Data | 20 |
The Phosphonium,heptyltriphenyl-, bromide (1:1) is an organic compound with the formula C25H30BrP. The IUPAC name of this chemical is heptyl(triphenyl)phosphanium bromide. With the CAS registry number 13423-48-8, it is also named as n-Heptyltriphenylphosphonium Bromide. The product's categories are Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents. Besides, it is a white fine crystalline powder.
Preparation: this chemical can be prepared by triphenylphosphane and 1-bromo-heptane. This reaction will need reagent benzonitrile. The reaction reaction temperature is 140 °C. The yield is about 89%.
Uses of Phosphonium,heptyltriphenyl-, bromide (1:1): it can be used to produce 2,2-dimethyl-4-oct-1-enyl-[1,3]dioxolane at temperature of -78 °C. This reaction is a kind of Wittig olefination. It will need reagent n-BuLi and solvent tetrahydrofuran. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact 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)CCCCCCC
(2)InChI: InChI=1/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(3)InChIKey: WCZSOHSGMBVYFW-REWHXWOFAE
(4)Std. InChI: InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: WCZSOHSGMBVYFW-UHFFFAOYSA-M