cis-3-ヨードアクリル酸エチル

ethyl (2Z)-3-iodoprop-2-enoate

HCID 643843

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基本情報

CAS: 31930-36-6
標準SMILES: CCOC(=O)/C=C\I
InChIKey: AELYFQSZXFFNGP-ARJAWSKDSA-N
分子式: C5H7IO2
平均分子量: 226.01 g/mol

名称と識別子

優先名称: ethyl (2Z)-3-iodoprop-2-enoate
IUPAC: ethyl (Z)-3-iodoprop-2-enoate
現地名: cis-3-ヨードアクリル酸エチル
英語名: CIS-3-IODOACRYLIC ACID ETHYL ESTER
分子式: C5H7IO2
分子量: 226.01

名称と別名

31930-36-6ethyl (2Z)-3-iodoprop-2-enoateRefChem:593068627-621-5(Z)-Ethyl 3-iodoacrylateEthyl cis-3-iodoacrylatecis-3-Iodoacrylic Acid Ethyl EsterMFCD00209584ethyl (Z)-3-iodoprop-2-enoateethyl (z)-3-iodoacrylateethyl (2Z)-3-iodoacrylateSCHEMBL2584885

名称をさらに表示

cis-3-ヨードアクリル酸エチルethyl (Z)-3-iodopropenoateEthyl cis-3-iodoacrylate 98%Ethyl cis-3-Iodoacrylate Ethyl cis-3-iodoacrylate(Z)-Ethyl 3-iodoacrylate - [E92238]

AKOS024386598C5H7IO22-(1-Hydroxycyclohexyl)-2-(3-(((2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl)amino)methyl)-4-methoxyphenyl)acetonitrileI0502(Z)-ethyl-3-iodoac2-propenoic acid, 3-iodo-, ethyl ester, (2Z)-(Z)-ethyl-3-iodoacrylate(z)-ethyl-3-iodo-acrylate

データベース識別子

CAS: 31930-36-6
PubChem CID: 643843
EC Number: 627-621-5
Nikkaji: J469.867C

物性

構造計算による物性

XLogP: 1.6
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: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 98.6

物理化学的性質

沸点: 85 °C/20 · 85 °C/20 mmHg (lit.)
比重(密度): 1.765 g/mL · 1.765 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.533(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、酢酸エチル（微量）
外見: 油
色: 無色透明
InChI: 1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
InChIKey: AELYFQSZXFFNGP-ARJAWSKDSA-N
SMILES: [H]\C(I)=C(/[H])C(=O)OCC
CAS データベース: 31930 · 31930-36-6

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29161900
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用Ethyl Cis-3-iodoacrylate is a reactant used in the synthesis of complex naphtho(benzo)furans as well as in the cobalt-catayzed cross coupling of functionalized organozinc pivalates.

一般的な説明Ethyl cis-3-iodoacrylate (cis-ethyl-β-iodoacrylate, ethyl (Z)-β-iodoacrylate) is Z-vinyl iodide derivative. It is reported to be prepared from ethyl propiolate by treating with sodium iodide. Its Suzuki coupling reaction with cyclic vinyl boronic acids has been studied.