Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester
기본 정보
- CAS
201611-84-9- 표준 SMILES
CCOC(=O)C(C)(C)SC(=S)c1ccccc1- InChIKey
MDFLMFRGXQRZII-UHFFFAOYSA-N- 분자식
- C13H16O2S2
- 평균 분자량
- 268.4 g/mol
- 단동위원소 질량
- 268.0591721
이름 및 식별자
- 우선 이름
- Propanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl ester
- IUPAC
- ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoate
- 영어명
- ECPDB
- 분자식
- C13H16O2S2
- 분자량
- 268.4
이름 및 동의어
201611-84-9Ethyl 2-methyl-2-((phenylcarbonothioyl)thio)propanoatePropanoic acid, 2-methyl-2-[(phenylthioxomethyl)thio]-, ethyl esterEthyl 2-methyl-2-(phenylthiocarbonylthio)propionateETHYL 2-(BENZENECARBOTHIOYLSULFANYL)-2-METHYLPROPANOATE2-(ETHOXYCARBONYL)-2-PROPYLDITHIOBENZOATE2-(ethoxycarbonyl)prop-2-yl dithiobenzoateF82735ethyl 2-(benzenecarbonothioylsulfanyl)-2-methylpropanoateEthyl 2-methyl-2-(phenylthiocarbonylthio)propionate, 95%Ethyl 2-methyl-ECPDB
이름 더 보기
Ethyl 2-methyl-2-(phenylthiocarbonylthio)propionate 95%
starbld0042898SCHEMBL164403DTXSID70432571Ethyl 2-(benzenecarbonothioylsulfanyl)-2-methyl-propanoateMDFLMFRGXQRZII-UHFFFAOYSA-NC13H16O2S2AS-92051CS-0133376
데이터베이스 식별자
- CAS
201611-84-9- PubChem CID
- 9900072
- DTXSID
DTXSID70432571- EC Number
- 689-693-4
- Nikkaji
- J1.367.752B
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 83.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 281
물리화학적 성질
- 끓는 점
- 355.3 · 355.3±44.0 °C(Predicted)
- 밀도
- 1.148 g/mL · 1.148 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.600
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- liquid
- InChI
- 1S/C13H16O2S2/c1-4-15-12(14)13(2,3)17-11(16)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChIKey
- MDFLMFRGXQRZII-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C)(C)SC(=S)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 22-43
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도RAFT agent for controlled radical polymerization; well-suited for polymerization of methacrylates, methacrylamides, and to a lesser extent styrenes, acrylates, and acrylamides. Chain Transfer Agent (CTA)
관련 반응
4건
화합물 노트
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