エチルトリフェニルホスホニウムヨージド

Ethyltriphenylphosphonium iodide

HCID 78474CAS 4736-60-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
分子式: C20H20P.I
平均分子量: 418.2 g/mol
単同位体質量: 418.03473527

名称と識別子

優先名称: Ethyltriphenylphosphonium iodide
IUPAC: ethyl(triphenyl)phosphanium iodide
現地名: エチルトリフェニルホスホニウムヨージド
英語名: Ethyltriphenylphosphonium iodide
分子式: C20H20P.I
分子量: 418.25

名称と別名

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

名称をさらに表示

エチルトリフェニルホスホニウムヨージドエチルトリフェニルホスホニウム·ヨージドトリフェニルエチルホスホニウム·ヨージドヨウ化エチルトリフェニルホスホニウムヨウ化物よう化(エチル)トリフェニルホスホニウムエチルトリフェニルホスホニウムヨージドヨウ化エチルトリフェニルホスホニウムEPJ[Ph3EP]IEthyl triphenyleTriphenylethyl iodidephenylphosphoniumethyliodideethyltriphenylphosphine iodideTriphenylethylphosphine iodideEthyltriphenylphosphoniuM iodid

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 247

実験および物理化学的性質

Physical DescriptionDry Powder

物理化学的性質

融点: 164 · 164-168 °C(lit.)
沸点: 337 °C · 337 °C
比重(密度): 1.5 · 1.500
蒸気圧: 0 Pa · 0Pa at 25℃
闪点: 226 °C · 226 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: アセトン、クロロホルム、ジクロロメタン、メタノール
外見: 粉
色: 黄色
水溶解度: わずかに溶ける
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 データベース: 4736 · 4736-60-1(CAS DataBase Reference)
EPAの化学物質情報: Phosphonium, ethyltriphenyl-, iodide (4736-60-1)

化学的性質

化学的特性Ethyltriphenylphosphonium iodide is white to slightly yellowish crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

安全データ

F: 3-8-10
wgk: 3
tsca: TSCA listed
rtecs: TA2312000
ridadr: UN 2811 6.1/PG 3
hs_code: 29310095
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
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

U.S. Production2023: 79,919 lb

Industry UsesCatalyst

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

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

応用分野

用途有機合成原料。

使用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.