Ethyltriphenylphosphoniumiodid

Ethyltriphenylphosphonium iodide

HCID 78474CAS 4736-60-1

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Grundinformationen

Standard-SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
Summenformel: C20H20P.I
Durchschnittliche Molmasse: 418,2 g/mol
Monoisotopische Masse: 418,03473527

Namen und Bezeichner

Bevorzugter Name: Ethyltriphenylphosphonium iodide
IUPAC: ethyl(triphenyl)phosphanium iodide
Lokaler Name: Ethyltriphenylphosphoniumiodid
Englischer Name: Ethyltriphenylphosphonium iodide
Summenformel: C20H20P.I
Molmasse: 418.25

Namen und Synonyme

Ethyltriphenylphosphonium iodidePhosphonium, ethyltriphenyl-, iodidePhenylphosphonium ethyl iodideETPPITriphenylethylphosphonium iodideHishicolin ETPPIUNII-XXZ2V239JNEINECS 225-245-2XXZ2V239JNethyl(triphenyl)phosphonium iodidePhosphonium, ethyltriphenyl-, iodide (1:1)DTXSID1052117

Weitere Namen anzeigen

EPJ[Ph3EP]IEthyl triphenyleTriphenylethyl iodidephenylphosphoniumethyliodideethyltriphenylphosphine iodideTriphenylethylphosphine iodideEthyltriphenylphosphoniuM iodid

J263.335CRefChem:139213DTXCID3030686225-245-24736-60-1ethyl triphenylphosphonium iodideMFCD00040352C20H20IP

Datenbank-Bezeichner

CAS: 4736-60-1
PubChem CID: 78474
DTXSID: DTXSID1052117
UNII: XXZ2V239JN
EC Number: 225-245-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 247

Experimentelle und physikochemische Eigenschaften

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 164 · 164-168 °C(lit.)
Siedepunkt: 337 °C · 337 °C
Dichte: 1.5 · 1.500
Dampfdruck: 0 Pa · 0Pa at 25℃
Flammpunkt: 226 °C · 226 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Acetone, Chloroform, Dichloromethane, Methanol
Aggregatzustand: Powder
Farbe: Yellow
Wasserlöslichkeit: slightly soluble
BRN: 3659323 · 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,2H2,1H3;1H/q+1;/p-1
InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
SMILES: [I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: 0.324 · 0.324
CAS Datenbank: 4736 · 4736-60-1(CAS DataBase Reference)
EPA chemische Informationen: Phosphonium, ethyltriphenyl-, iodide (4736-60-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.3% (5 of 381) of reports.

Danger

H300 (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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phosphonium, ethyltriphenyl-, iodide

Phosphonium, 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/21537

Ethyltriphenylphosphonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 2 (26.8%)

Sicherheitsdaten

F: 3-8-10
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 3
hs_code: 29310095
RTECS-Nr.: TA2312000
risk_code: 25-36/38-21-36/37/38-20/21/22
hazard_code: T,Xn
safety_code: 45-36/37/39-28A-26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 79,919 lb

Industry UsesCatalyst

General Manufacturing Information · 2 Einträge

Paint and Coating Manufacturing

Phosphonium, ethyltriphenyl-, iodide (1:1): ACTIVE

Anwendungen

VerwendenEthyltriphenylphosphonium 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.