HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyltriphenylphosphonium iodide
ETPPI · EPJ · [Ph3EP]I · Hishicolin ETPPI · Ethyl triphenyle · Triphenylethyl iodide · phenylphosphoniumethyliodide · ethyltriphenylphosphine iodide
Identifiers & Physical Properties
| CAS No. | 4736-60-1 |
|---|---|
| Molecular formula | C20H20P.I |
| Average molar mass | 418.2 g/mol |
| Monoisotopic mass | 418.03473527 g/mol |
| SMILES | CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-] |
| InChIKey | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| PubChem CID | 78474 |
| EC No. | 225-245-2 |
| DTXSID | DTXSID1052117 |
Chemical & Physical Properties
| Topological polar surface area | 0 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 247 |
| Physical Description | Dry Powder |
| Melting point | 164-168 °C(lit.) |
| Boiling point | 337 °C |
| Density | 1.500 |
| Vapor pressure | 0Pa at 25℃ |
| Flash point | 226 °C |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Acetone, Chloroform, Dichloromethane, Methanolslightly soluble |
| Physical state | Powder |
| Color | Yellow |
| Sensitivity | Light Sensitive & Hygroscopic |
| BRN | 3659323 |
| InChI | 1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H31H/q+1/p-1 |
| InChIKey | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| SMILES | [I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 |
| LogP (partition coefficient) | 0.324 |
| CAS DataBase Reference | 4736-60-1(CAS DataBase Reference) |
| FDA UNII | XXZ2V239JN |
| EPA Substance Registry System | Phosphonium, ethyltriphenyl-, iodide (4736-60-1) |
| UNSPSC Code | 12352002 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H319 |
| GHS precautionary statements | P301+P310+P330-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Hazard symbols | T,Xn |
| Risk statements (R) | 25-36/38-21-36/37/38-20/21/22 |
| Safety statements (S) | 45-36/37/39-28A-26-36 |
| UN transport number | UN 2811 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | TA2312000 |
| F | 3-8-10 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2 |
| Packing group | III |
| Customs code | 29310095 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| REACH registrations | Active |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.3% (5 of 381) of reports.DangerH300 (26.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 381 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Phosphonium, ethyltriphenyl-, iodidePhosphonium, ethyltriphenyl-, iodide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, ethyltriphenyl-, iodide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21537Ethyltriphenylphosphonium iodide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 2 (26.8%) |
| F | 3-8-10 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | TA2312000 |
| UN transport number | UN 2811 6.1/PG 3 |
| Customs code | 29310095 |
| Risk statements (R) | 25-36/38-21-36/37/38-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T,Xn |
| Safety statements (S) | 45-36/37/39-28A-26-36 |
| Hazard class | 6.1Acute Tox. 3 OralEye Irrit. 2 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| GHS hazard statements | H301-H319 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Active |
| GHS precautionary statements | P301+P310+P330-P305+P351+P338 |
Applications & Uses
Uses
Ethyltriphenylphosphonium iodide is involved in synthesis of diarylmethine derivatives, phosphonium salts, and bismuth(III) polynuclear halide complexes, asymmetric hydrogenation.
Uses
Ethyltriphenylphosphonium iodide is used as a Wittig reagent and phase transfer catalyst in organic synthesis. It can also be used in asymmetric hydrogenation and to make Bismuth(III) polynuclear complexes.