Phosphonium, ethyltriphenyl-, bromide (1:1) (HCID 73727)

名称と識別子

優先名称: Phosphonium, ethyltriphenyl-, bromide (1:1)
IUPAC: ethyl(triphenyl)phosphanium bromide
現地名: エチルトリフェニルホスホニウムブロミド
英語名: Ethyltriphenylphosphonium bromide
分子式: C20H20BrP
分子量: 371.25

名称と別名

Ethyltriphenylphosphonium bromide1530-32-1Triphenylethylphosphonium bromidePhosphonium, ethyltriphenyl-, bromideEthyltriphenylfosfonium bromidePhosphonium, ethyltriphenyl-, bromide (1:1)R85V84UL5Vethyl(triphenyl)phosphonium bromideEINECS 216-223-3NSC-60660TEP (ONIUM COMPOUND)DTXSID90883687

名称をさらに表示

エチルトリフェニルホスホニウムブロミドトリフェニルエチルホスホニウム·ブロミドエチルトリフェニルホスホニウム·ブロミドエチルトリフェニルホスホニウム=ブロミド臭化エチルトリフェニルホスホニウム臭化(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ブロミドエチル（トリフェニル）ホスホニウム＝ブロミドエチルトリフェニルホスホニウムブロミド臭化物臭化エチルトリフェニルホスホニウム, 99%エチルトリフェニルホスホニウム・ブロミドトリフェニルエチルホスホニウム・ブロミドTEPETPPBEthyl triphenyl phosphine bromideethyltriphenylphosphanium bromideAD182tbepbETPPBREthyl triphenyl phoAntioxidants Impurity 15

EC 216-223-3NSC 60660J237.373DRefChem:862303DTXCID501023191216-223-3Ethyl triphenyl phosphonium bromideEthyl triphenylphosphonium Bromide

データベース識別子

CAS: 1530-32-1
PubChem CID: 73727
DTXSID: DTXSID90883687
ChEMBL: CHEMBL353497
UNII: R85V84UL5V
EC Number: 216-223-3

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: 203 · 203-205 °C(lit.)
沸点: 240 ℃[at · 240℃[at 101 325 Pa]
比重(密度): 1.38 · 1.38[at 20℃]
蒸気圧: 0 · 0-0.1Pa at 20-25℃
闪点: 200 °C · 200 °C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 174 g/l · 174g/l 可溶
外見: 結晶性粉末
色: ホワイトからオフホワイト
水溶解度: 120 g/L · 120g/L(23℃)
BRN: 3599630 · 3599630
InChI: 1S/C20H20P.BrH/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: JHYNXXDQQHTCHJ-UHFFFAOYSA-M
SMILES: [Br-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: -0.69 · -0.69--0.446 at 35℃
CAS データベース: 1530 · 1530-32-1(CAS DataBase Reference)
EPAの化学物質情報: Phosphonium, ethyltriphenyl-, bromide (1530-32-1)

化学的性質

化学的特性White to off-white 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% (6 of 577) of reports.

Danger

H301 (46.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, 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 577 reports by companies from 29 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

Phosphonium, ethyltriphenyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, ethyltriphenyl-, bromide (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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 22-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5487

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

Hazard Classes and CategoriesAcute Tox. 3 (46.4%)

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 3077 9/PG 3
hs_code: 29310095
risk_code: 22-51/53-36/37/38-21/22
hazard_code: Xn,N,Xi
safety_code: 61-36/37/39-26-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1
ストレージクラス: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

化学と産業

用途と製造

U.S. Production2023: <75,000 lb

Industry UsesOther

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

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

応用分野

用途有機合成反応や相間移動の触媒、腐食防止剤として用いられる。例)有機合成反応触媒:環状カーボネートの合成、ぎ酸のベンジルクロライド類によるエステル化反応、Advanced法エポキシ樹脂の製造触媒の原料の触媒。相間移動触媒:ハロアゾベンゼンのシアノ化反応

使用Ethyltriphenylphosphonium Bromide is used as a wittig reagent. Ethyltriphenylphosphonium Bromide and other phosphonium salts show antiviral activity.

調製方法

純化方法Recrystallise it from H2O and dry it in high vacuum at 100o. IR has bands at 1449, 1431 and 997cm-1 . [Wittig & Wittenberg Justus Liebigs Ann Chem 606 1 1957, Bergmann & Dusza J Org Chem 23 1245 1958, Beilstein 16 IV 982.]