기본 정보
- 표준 SMILES
CCOC(=O)CC(=O)c1cccs1- InChIKey
VKSDKUXHVLZDHO-UHFFFAOYSA-N- 분자식
- C9H10O3S
- 평균 분자량
- 198.24 g/mol
- 단동위원소 질량
- 198.03506518
이름 및 식별자
- 우선 이름
- Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
- IUPAC
- ethyl 3-oxo-3-thiophen-2-ylpropanoate
- 현지명
- 3-OXO-3-티오펜-2-YL-프로피온산에틸에스테르
- 영어명
- 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
- 분자식
- C9H10O3S
- 분자량
- 198.24
이름 및 동의어
ethyl 3-oxo-3-(thiophen-2-yl)propanoateDTXSID70292132RefChem:595051DTXCID6024327413669-10-83-Oxo-3-thiophen-2-yl-propionic acid ethyl esterethyl 3-oxo-3-(2-thienyl)propanoateethyl 3-oxo-3-thiophen-2-ylpropanoateMFCD00542649ethyl (2-thenoyl)acetate3-oxo-3-(2-thienyl)propionic acid ethyl ester2-Thiophenepropanoic acid, beta-oxo-, ethyl ester
이름 더 보기
3-OXO-3-티오펜-2-YL-프로피온산에틸에스테르3-OXO-3-BUTTPARK 146\18-24ETHYL-2-THIOPHENOYL-ACETATE3-oxo-3-(thiophen-2-yl)propionateEthyl 3-oxo-3-thien-2-ylpropanoateEthyl 3-oxo-3-thiophen-2-yl-propiote2-[oxo(thiophen-2-yl)methyl]butanoate
ethyl 3-oxo-3-(2-thienyl)propionate3-Oxo-3-thiophen-2-ylpropionic acid ethyl esterethyl 3-oxo-3-thiophen-2-yl-propionateEthyl .alpha.-Thienoylacetateethyl3-oxo-3-(thiophen-2-yl)propanoateSCHEMBL81392VKSDKUXHVLZDHO-UHFFFAOYSA-Nethyl-2-(thiophene-2-oyl)acetate
데이터베이스 식별자
- CAS
13669-10-8- PubChem CID
- 255159
- DTXSID
DTXSID70292132- EC Number
- 673-413-2
- Nikkaji
- J524.320C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 71.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 203
물리화학적 성질
- 녹는점
- 24 °C · 24 °C(Solv: ethyl ether (60-29-7))
- 끓는 점
- 130 °C/0.3mmHg · 130°C/0.3mmHg(lit.)
- 밀도
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- 굴절률
- 1.54 to · 1.5400 to 1.5440
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- powder to lump to clear liquid
- 산도 계수 (pKa)
- 9.79 · 9.79±0.46(Predicted)
- 색상
- White or Colorless to Light yellow to Light orange
안전 및 규제
GHS 분류
GHS Classification
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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 29349990
화학 및 산업
상·하류 제품 정보
상류 원료
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