CIS-3-요오도아크릴산에틸에스테르

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

HCID 643843CAS 31930-36-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)/C=C\I
InChIKey: AELYFQSZXFFNGP-ARJAWSKDSA-N
분자식: C5H7IO2
평균 분자량: 226.01 g/mol

이름 및 식별자

우선 이름: ethyl (2Z)-3-iodoprop-2-enoate
IUPAC: ethyl (Z)-3-iodoprop-2-enoate
현지명: CIS-3-요오도아크릴산에틸에스테르
영어명: CIS-3-IODOACRYLIC ACID ETHYL ESTER
분자식: C5H7IO2
분자량: 226.01

이름 및 동의어

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

이름 더 보기

CIS-3-요오도아크릴산에틸에스테르ethyl (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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.6

물리화학적 성질

끓는 점: 85 °C/20 · 85 °C/20 mmHg (lit.)
밀도: 1.765 g/mL · 1.765 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.533(lit.)
인화점: 210 °F · 210 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 기름
색상: 투명 무색
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도Ethyl 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.

일반 설명Ethyl 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.