에틸1-시아노시클로프로판카르복실레이트

Ethyl 1-cyanocyclopropanecarboxylate

HCID 380810CAS 1558-81-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C1(C#N)CC1
InChIKey: FDZLCIITHLSEQK-UHFFFAOYSA-N
분자식: C7H9NO2
평균 분자량: 139.15 g/mol
단동위원소 질량: 139.06332853

이름 및 식별자

우선 이름: Ethyl 1-cyanocyclopropanecarboxylate
IUPAC: ethyl 1-cyanocyclopropane-1-carboxylate
현지명: 에틸1-시아노시클로프로판카르복실레이트
영어명: Ethyl 1-cyanocyclopropanecarboxylate
분자식: C7H9NO2
분자량: 139.15

이름 및 동의어

Ethyl 1-cyanocyclopropanecarboxylate1558-81-2DTXSID20327564RefChem:342037DTXCID90278675670-511-7Ethyl 1-cyano-1-cyclopropanecarboxylateethyl 1-cyanocyclopropane-1-carboxylateCyclopropanecarboxylic acid, 1-cyano-, ethyl esterMFCD000401591-cyano-cyclopropanecarboxylic acid ethyl esterNSC666530

이름 더 보기

에틸1-시아노시클로프로판카르복실레이트Ethyl 1-cyacyclopropanecarboxylateethyl 1-cyanocyclopropane-1-carboxylEthyl 1-cyanocyclopropan-carboxylateEthyl 1-cyanocyclopropanecarboxylate 96%1-cyano-2-ethyl-1-cyclopropanecarboxylateEthyl 1-cyano-1-cyclopropanecarboxylate 96%1-CYANO-CYCLOPROPANECARBOXYLIC ACIDETHYL ESTER

SCHEMBL102472CHEMBL391375FDZLCIITHLSEQK-UHFFFAOYSA-NALBB-015985CS-M0595AKOS005175284Ethyl1-cyano-1-cyclopropanecarboxylateEthyl1-cyanocyclopropane-1-carboxylate

데이터베이스 식별자

CAS: 1558-81-2
PubChem CID: 380810
DTXSID: DTXSID20327564
ChEMBL: CHEMBL391375
EC Number: 670-511-7
Nikkaji: J1.386.227C

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 50.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 197

물리화학적 성질

끓는 점: 217 °C · 217 °C (lit.)
밀도: 1.077 g/mL · 1.077 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.445(lit.)
인화점: 211 °F · 211 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
InChI: InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
InChIKey: FDZLCIITHLSEQK-UHFFFAOYSA-N
SMILES: C1(C#N)(C(OCC)=O)CC1

안전 및 규제

안전 데이터

wgk: 3
tsca: No
HS 번호: 2926907090
risk_code: 36/37/38
safety_code: 26-37
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 1-cyano-1-cyclopropanecarboxylate may be used as a monomer in the preparation of poly(ethyl trimethylene-1-cyano-1-carboxylate)s.

일반 설명Ethyl 1-cyano-1-cyclopropanecarboxylate (ethyl 1-cyanocyclopropanecarboxylate) is an alkyl 1-cyanocyclopanecarboxylate. It can be prepared by reacting ethyl cyanoacetate, 1,2-dibromoethane, potassium carbonate and DMSO.