Ethyl iodoacetate

HCID 12183CAS 623-48-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CI
InChIKey: MFFXVVHUKRKXCI-UHFFFAOYSA-N
분자식: C4H7IO2
평균 분자량: 214 g/mol
단동위원소 질량: 213.94907746

개요

Ethyl iodoacetate is a chemical compound that is a derivative of ethyl acetate. It is a lachrymatory agent.

이름 및 식별자

우선 이름: Ethyl iodoacetate
IUPAC: ethyl 2-iodoacetate
영어명: Ethyl iodoacetate
분자식: C4H7IO2
분자량: 214

이름 및 동의어

ETHYL IODOACETATEethyl 2-iodoacetate623-48-3Acetic acid, iodo-, ethyl esterEthyl monoiodoacetateIodoacetic acid, ethyl esterIodoacetic acid ethyl esterEINECS 210-796-3Ethylester kyseliny jodoctoveEthylester kyseliny jodoctove [Czech]MFCD00001081NSC 58809

이름 더 보기

s9Rpn6p44.5Ethyliodoacetate,98%ethylmonoiodoacetateIodoacetic acid ethyl

BRN 0741934Acetic acid, 2-iodo-, ethyl esterX9ZR7PV2QFS 9iodo-acetic acid ethyl ester4-02-00-00535 (Beilstein Handbook Reference)NSC-58809ethyliodoacetate

데이터베이스 식별자

CAS: 623-48-3
PubChem CID: 12183
DTXSID: DTXSID5060770
UNII: X9ZR7PV2QF
EC Number: 210-796-3
Nikkaji: J54.938J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 62.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear dark brown liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 25 °C · <25 °C
끓는 점: 179 · 179-180 °C(lit.)
밀도: 1.808 g/mL · 1.808 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 170 °F · 170 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 맑은 연한 노란색에서 주황색까지
수용성: 물에 불용성.
BRN: 741934 · 741934
InChI: 1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey: MFFXVVHUKRKXCI-UHFFFAOYSA-N
SMILES: CCOC(=O)CI
EPA: Acetic acid, iodo-, ethyl ester (623-48-3)

화학적 성질

clear light yellow to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (97.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationEthyl iodoacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes altered sleep time (including change in righting reflex), somnolence, and convulsions in oral lethal-dose studies of mice and rats; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 2 (97.7%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AI3575000
ridadr: UN 2922 8/PG 2
HS 번호: 29159000
risk_code: 25-34
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-21034
F 고인화성물질: 8-19
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetic acid, 2-iodo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl iodoacetate was used in the synthesis of trans-2,3-disubstituted indolines by reacting with 1-azido-2-allylbenzene derivatives via a diastereoselective radical cascade.