에틸2-포르밀-1-사이클로프로판카복실레이트

Ethyl 2-formylcyclopropanecarboxylate

HCID 89334CAS 20417-61-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C1CC1C=O
InChIKey: MDWXTLNIZCHBJE-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: Ethyl 2-formylcyclopropanecarboxylate
IUPAC: ethyl 2-formylcyclopropane-1-carboxylate
현지명: 에틸2-포르밀-1-사이클로프로판카복실레이트
영어명: Ethyl 2-formyl-1-cyclopropanecarboxylate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

20417-61-2Ethyl 2-formylcyclopropanecarboxylateethyl 2-formylcyclopropane-1-carboxylateEthyl 2-formyl-1-cyclopropanecarboxylateCyclopropanecarboxylic acid, 2-formyl-, ethyl esterMFCD000012852-Formylcyclopropane-1-carboxylic Acid Ethyl EsterCyclopropanecarboxylic acid, 2-formyl-, ethyl ester, (1R-trans)- (9CI)Ethyl 2-formylcyclopropanecarboxylate, predominantly transEthyl-2-Formyl-1-CyclopropanecarboxylateEINECS 243-805-4ethyl (1S,2S)-2-formylcyclopropane-1-carboxylate

이름 더 보기

에틸2-포르밀-1-사이클로프로판카복실레이트2-formyl-1-cyclopropanethyl formateEthyl 2-formyl-1-cyclopropanecarboxylEthyl 2-formylcyclopropan-carboxylate2-Formylcyclopropanecarboxylic acid ethyl ester

SCHEMBL208304DTXSID90942586Ethyl2-formylcyclopropanecarboxylateALBB-037191AKOS015915477DS-9625ethyl 2-formyl-1-cyclopropane carboxylateethyl 2-formyl-1-cyclopropane-carboxylate

데이터베이스 식별자

CAS: 20417-61-2
PubChem CID: 89334
DTXSID: DTXSID90942586
EC Number: 243-805-4
Nikkaji: J280.591J

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

끓는 점: 60 · 60-65 °C0.6 mm Hg(lit.)
밀도: 1.074 g/mL · 1.074 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 184 °F · 184 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
InChI: 1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3
InChIKey: MDWXTLNIZCHBJE-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CC1C=O

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2918300090
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 2-formyl-1-cyclopropanecarboxylate was used in the preparation of ethyl trans-2-(4-(methylphenyl)sulfonyl-4,5-dihydrooxazol-5-yl)cyclopropanecarboxylate.

일반 설명Ethyl 2-formyl-1-cyclopropanecarboxylate was formed by acid catalyzed reaction between acrolein and ethyl diazoacetate.