Ethyl iodoacetate
기본 정보
- CAS
623-48-3- 표준 SMILES
CCOC(=O)CI- InChIKey
MFFXVVHUKRKXCI-UHFFFAOYSA-N- 분자식
- C4H7IO2
- 평균 분자량
- 214 g/mol
- 단동위원소 질량
- 213.94908
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 Ų
- 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)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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.
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