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Cas Database |
| Name |
Benzyltriphenylphosphonium chloride |
EINECS | 214-154-3 |
| CAS No. | 1100-88-5 | Density | 1.18 g/cm3 (20℃) |
| PSA | 13.59000 | LogP | 2.18470 |
| Solubility | soluble in water | Melting Point |
337 °C |
| Formula | C25H22P·Cl | Boiling Point | N/A |
| Molecular Weight | 388.876 | Flash Point | 300°C |
| Transport Information | UN 2811 6.1/PG 2 | Appearance | white powder |
| Safety | 26-36/37/39-45 | Risk Codes | 36/37/38-24/25 |
| Molecular Structure |
|
Hazard Symbols |
 T, Xi
|
| Synonyms |
Benzyltriphenylphosphoniumchloride (6CI,7CI);Phosphonium, benzyltriphenyl-, chloride (8CI);Phosphonium,triphenyl(phenylmethyl)-, chloride (9CI);GM 200;NSC 116712;Triphenylbenzylphosphonium chloride; |
Article Data | 61 |
Benzyltriphenylphosphonium chloride Synthetic route
| Conditions | Yield |
|---|---|
| In toluene at 110℃; Inert atmosphere; | 100% |
| In toluene Inert atmosphere; Reflux; | 98% |
| In toluene for 18h; Inert atmosphere; Reflux; | 98% |
- 56-93-9
benzyltrimethylammonium chloride
- 603-35-0
triphenylphosphine
- 1100-88-5
benzyltriphenylphosphonium chloride
| Conditions | Yield |
|---|---|
| at 250℃; for 0.166667h; Irradiation; | 95% |
- 5293-84-5
chloromethyltriphenylphosphonium chloride
- 110637-73-5
Benzyltriphenylphosphonium dimethyldithiocarbamate
A
- 1100-88-5
benzyltriphenylphosphonium chloride
B
- 110637-64-4
Dimethylthiocarbamoylsulfanylmethyl-triphenyl-phosphonium; chloride
| Conditions | Yield |
|---|---|
| In 1,2-dimethoxyethane for 2.5h; Ambient temperature; | A 80% B 50% |
- 79-22-1
methyl chloroformate
- 16721-45-2
triphenyl(phenylmethylene)phosphorane
A
- 1100-88-5
benzyltriphenylphosphonium chloride
B
- 1106-06-5
<α-(methoxycarbonyl)benzylidene>triphenylphosphorane
| Conditions | Yield |
|---|---|
| In benzene Ambient temperature; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 12h; Heating; Yield given; |
| Conditions | Yield |
|---|---|
| With copper(l) chloride |
- 205433-91-6
[α-(phenylphosphanyl)benzylidene]triphenylphosphorane
- 1100-88-5
benzyltriphenylphosphonium chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran; diethyl ether at 0℃; for 0.5h; |
- 205433-91-6
[α-(phenylphosphanyl)benzylidene]triphenylphosphorane
A
- 1100-88-5
benzyltriphenylphosphonium chloride
B
- 638-21-1
phenylphosphane
C
- 1104-52-5, 75494-90-5
tetraphenyl-cyclotetraphosphane
| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether; dichloromethane at 0℃; for 0.0833333h; Further byproducts given; |
- 1100-88-5
benzyltriphenylphosphonium chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 89 percent / LiAlH4 / tetrahydrofuran / -40 °C 2: 1 M HCl / tetrahydrofuran; diethyl ether / 0.5 h / 0 °C View Scheme |
Benzyltriphenylphosphonium chloride Specification
The Phosphonium, triphenyl(phenylmethyl)-, chloride (1:1), with the CAS registry number 1100-88-5, is also known as Triphenylbenzylphosphonium chloride. It belongs to the product categories of Pharmaceutical Intermediates; Miscellaneous Compounds; Phosphonium Compounds; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction; Wittig Reaction; C-C Bond Formation; Olefination; Wittig Reagents; Organophosphorus compound. Its EINECS number is 214-154-3. This chemical's molecular formula is C25H22P·Cl and molecular weight is 388.87. What's more, its systematic name is Benzyl(triphenyl)phosphonium chloride. It is stable at common pressure and temperature, and it should be protected from oxides and water.
Preparation: this chemical can be prepared by chloromethyl-benzene and triphenylphosphane by heating. This reaction will need solvent dimethylformamide with the reaction time of 3 hours. The yield is about 67%.
-, chloride.jpg)
Uses of Phosphonium,triphenyl(phenylmethyl)-, chloride (1:1): it can be used to produce 1-methoxy-4-trans-styryl-benzene at the temperature of 105 °C. It will need reagent NaOC(CH3)3 and solvent dioxane with the reaction time of 2 hours. The yield is about 62%.
-, chloride.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin and can cause burns. 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, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1(ccccc1)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4
(2)Std. InChI: InChI=1S/C25H22P.ClH/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)Std. InChIKey: USFRYJRPHFMVBZ-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 43mg/kg (43mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0555817. |
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