에틸아세트이미데이트

Ethyl acetimidate

HCID 65066

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1000-84-6
표준 SMILES: CCOC(C)=N
InChIKey: JMIAPORGEDIDLT-UHFFFAOYSA-N
분자식: C4H9NO
평균 분자량: 87.12 g/mol
단동위원소 질량: 87.06841391

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름: Ethyl acetimidate
IUPAC: ethyl ethanimidate
현지명: 에틸아세트이미데이트
영어명: ethyl acetimidate
분자식: C4H9NO
분자량: 87.12

이름 및 동의어

Ethyl acetimidate1000-84-6Ethanimidic acid, ethyl ester1-Ethoxyethanimineethylacetimidate5CAT8M2NGJDTXSID4061381RefChem:138866DTXCID8032469213-676-9ethyl ethanimidateEthyl ethanimidoate

이름 더 보기

에틸아세트이미데이트ethanimidoate

MFCD00297109ethyl ethaneimidateEthanimidic acid, ethylesterEhtyl acetimidateethyl acetoimidateo-ethyl acetimidateEINECS 213-676-9O-Ethyl ethanimidate

데이터베이스 식별자

CAS: 1000-84-6
PubChem CID: 65066
DTXSID: DTXSID4061381
UNII: 5CAT8M2NGJ
EC Number: 213-676-9
Nikkaji: J217.102C

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 51.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

끓는 점: 92 · 92-95 °C
밀도: 0.872 g/cm3 · 0.872 g/cm3(Temp: 23 °C)
산도 계수 (pKa): 8.35 · 8.35±0.70(Predicted)
EPA: Ethanimidic acid, ethyl ester (1000-84-6)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

tsca: TSCA listed

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

용도 및 제조

General Manufacturing InformationEthanimidic acid, ethyl ester: INACTIVE

제조 방법 · 1건

To a flask cooled to -5°C containing 61.5 gm (1.5 mole) of dry aceto-nitrile and 69.0 gm (1.5 mole) of anhydrous ethanol is added 532 gm (1.5 mole) of gaseous hydrogen chloride. The flask is stoppered and kept for 6 hr at 0°C and 4-5 days in the refrigerator. The resulting precipitate is filtered and washed with dry ether at 0°C. The salt is suspended in 500 ml of anhydrous ether and while stirring vigorously dry ammonia is passed into the suspension for 1.5 hr at -15°C. The resulting ammonium chloride is filtered and the ether solution is fractionally distilled to affect 60.0 gm (45.9%), b.p. 90°C, n24D 1.415, d23 0.872.