기본 정보
- CAS
53207-58-2- 표준 SMILES
CSc1ccc(C(=O)C(C)C)cc1- InChIKey
VYUGBDJOQZSDQV-UHFFFAOYSA-N- 분자식
- C11H14OS
- 평균 분자량
- 194.3 g/mol
- 단동위원소 질량
- 194.07653607
이름 및 식별자
- 우선 이름
- 2-Methyl-1-[4-(methylthio)phenyl]-1-propanone
- IUPAC
- 2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
- 영어명
- P-(METHYLTHIO)ISOBUTYROPHENONE
- 분자식
- C11H14OS
- 분자량
- 194.29
이름 및 동의어
2-methyl-1-[4-(methylthio)phenyl]-1-propanoneDTXSID8012507472-Methyl-1-(4-(methylthio)phenyl)-1-propanoneRefChem:474890DTXCID201681546610-979-153207-58-2P-(METHYLTHIO)ISOBUTYROPHENONE2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one63635-20-12-methyl-1-(4-methylsulfanylphenyl)propan-1-one2-methyl-1-(4-(methylthio)phenyl)propan-1-one
이름 더 보기
Firocoxib Impurity 14-ISOBUTYRO THIOANISOLE4'METHYLTHIOISOBUTYROPHENONEp-Methylthiophenyl isopropyl ketone1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-Methyl-1-(4-methylsulfanyl-phenyl)-propan-1-one2-Methyl-1-[4-(methylsulfanyl)phenyl]-1-propanoneQ: What is 2-Methyl-1-[4-(methylsulfanyl)phenyl]-1-propanone Q: What is the CAS Number of 2-Methyl-1-[4-(methylsulfanyl)phenyl]-1-propanone
MFCD030946614'-(Methylthio)-2-methylpropiophenone2-methyl-1-[4-(methylsulfanyl)phenyl]-1-propanone2-Methyl-1-(4-(methylthio)phenyl)-propan-1-one2-methyl-1-[4-(methylthio)phenyl]-propan-1-one2-Methyl-1-[4-(methylsulphanyl)phenyl]propan-1-one2-Methyl-1-(4-methylsulfanylphenyl)propan-1-one, p-(Methylthio)isobutyrophenone;4-(Isobutyro)thioanisole
데이터베이스 식별자
- CAS
53207-58-2- PubChem CID
- 852539
- DTXSID
DTXSID801250747- EC Number
- 610-979-1
- Nikkaji
- J427.310I
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 169
물리화학적 성질
- 녹는점
- 45 · 45-49 °C(lit.)
- 끓는 점
- 120 · 120-121 °C(Press: 2 Torr)
- 밀도
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 인화점
- 210 °F · 210 °F
- 용해도
- 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
- 물리적 상태
- 저융점 고체
- 색상
- 황백색에서 연한 노란색
- 안정성
- 공기에 민감한
- LogP
- 3.18 · 3.18-3.389 at 25℃ and pH7
안전 및 규제
GHS 분류
GHS Classification
H412 (99%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 26-05-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1789
Hazard Classes and CategoriesAquatic Chronic 3 (99%)
안전 데이터
- wgk
- 3
- HS 번호
- 2930909899
화학 및 산업
상·하류 제품 정보
하류 제품
공급사37 곳
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
관련 반응
21건
화합물 노트
불러오는 중…