[3-(エトキシカルボニル)プロピル]トリフェニルホスホニウム=ブロミド

(3-(Ethoxycarbonyl)propyl)triphenylphosphonium Bromide

HCID 2773643

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 50479-11-3
標準SMILES: CCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: JPZMNVPVVYVXAD-UHFFFAOYSA-M
分子式: C24H26BrO2P
平均分子量: 457.3 g/mol
単同位体質量: 456.08538

名称と識別子

優先名称: (3-(Ethoxycarbonyl)propyl)triphenylphosphonium Bromide
IUPAC: (4-ethoxy-4-oxobutyl)-triphenylphosphanium bromide
現地名: [3-(エトキシカルボニル)プロピル]トリフェニルホスホニウム=ブロミド
英語名: [3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide
分子式: C24H26BrO2P
分子量: 457.34

名称と別名

[3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide(3-(Ethoxycarbonyl)propyl)triphenylphosphonium BromideRefChem:399668610-534-150479-11-3(4-ethoxy-4-oxobutyl)triphenylphosphonium bromideMFCD00274610(4-ethoxy-4-oxobutyl)-triphenylphosphanium;bromideNSC269919(4-Ethoxy-4-oxobutyl)triphenylphosphonium Bromide (1:1); 3-Carboethoxypropyltriphenylphosphonium Bromide; NSC 269919[3-(Ethoxycarbonyl)prop-1-yl]tris(phenyl)phosphonium bromideethoxycarbonylpropyltriphenylphosphonium bromide

名称をさらに表示

[3-(エトキシカルボニル)プロピル]トリフェニルホスホニウム=ブロミド[3-(エトキシカルボニル)プロピル]トリフェニルホスホニウムブロミドNSC 269919RARECHEM FH KO 0044(3-Ethoxycarbonyl-propyl)-triphenyl-phosphonium(3-(ethoxycarbonyl)propyl)triphenyl-phosphonium B3- (ethoxycarbonyl) propyl] triphenylphosphine bromide(3-Ethoxycarbonylpropyl)triphenylphosphoniumbromide,97%(4-ethoxy-4-oxobutyl)triphenyl-Phosphonium bromide (1:1)

(4-ethoxy-4-oxobutyl)-triphenylphosphanium,bromideSCHEMBL274167Phosphonium, (4-ethoxy-4-oxobutyl)triphenyl-, bromideDTXSID30964707JPZMNVPVVYVXAD-UHFFFAOYSA-MAKOS004903756NSC-269919BP-12772

データベース識別子

CAS: 50479-11-3
PubChem CID: 2773643
DTXSID: DTXSID30964707
EC Number: 610-534-1

物性

構造計算による物性

極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 9
重原子数: 28
形式電荷: 0
複雑度: 386

物理化学的性質

融点: 165 · 165-167 °C(lit.)
貯蔵温度: Refrigerator (+4°C)
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
安定性: 吸湿性
InChI: 1S/C24H26O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,2,12,19-20H2,1H3;1H/q+1;/p-1
InChIKey: JPZMNVPVVYVXAD-UHFFFAOYSA-M
SMILES: [Br-].CCOC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.