기본 정보
- CAS
386715-51-1- 표준 SMILES
Cc1cccc(C(=O)CS(C)(=O)=O)n1- InChIKey
RIIUSEYOSRDNLM-UHFFFAOYSA-N- 분자식
- C9H11NO3S
- 평균 분자량
- 213.26 g/mol
- 단동위원소 질량
- 213.04596439
이름 및 식별자
- 우선 이름
- 1-(6-Methylpyridin-2-yl)-2-(methylsulfonyl)ethanone
- IUPAC
- 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
- 현지명
- N,N-디메틸옥삼산
- 영어명
- N,N-Dimethyloxamic acid
- 분자식
- C9H11NO3S
- 분자량
- 213.25
이름 및 동의어
1-(6-methylpyridin-2-yl)-2-(methylsulfonyl)ethanoneRefChem:426812674-229-5386715-51-11-(6-methylpyridin-2-yl)-2-methylsulfonylethanone2-methanesulfonyl-1-(6-methylpyridin-2-yl)ethan-1-oneMFCD019413111-(6-Methylpyridin-2-yl)-2-(methylsulfonyl)ethan-1-one1-(6-methyl(2-pyridyl))-2-(methylsulfonyl)ethan-1-one1-(6-methylpyridin-2-yl)-2-methylsulphonylethanone1-(6-Methylpyridin-2-yl)-2-(methylsulfonyl)-ethanoneDTXSID00371722
이름 더 보기
N,N-디메틸옥삼산N,N-Dimethyloxamic acid2-Methyl-6-[(methylsulphonyl)acetyl]pyridine 95+%Ethanone, 1-(6-methyl-2-pyridinyl)-2-(methylsulfonyl)-1-(6-Methylpyridin-2-yl)-2-(methylsulphonyl)ethan-1-one, 6-[(Methylsulphonyl)acetyl]-2-picoline
SBB058962AKOS015842488PS-5185CS-0320161ST510421592-Methyl-6-[(methylsulphonyl)acetyl]pyridine1-(6-methyl-2-pyridyl)-2-methylsulfonyl-ethanoneF023413
데이터베이스 식별자
- CAS
386715-51-1- PubChem CID
- 2736945
- DTXSID
DTXSID00371722- EC Number
- 674-229-5
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 녹는점
- 126 · 126-128
- 물리적 상태
- solid
- InChI
- 1S/C4H7NO3/c1-5(2)3(6)4(7)8/h1-2H3,(H,7,8)
- InChIKey
- YKFGLGXRUVEMNF-UHFFFAOYSA-N
- SMILES
- CN(C)C(=O)C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933399990
- risk_code
- 22-36
- hazard_code
- Xi,Xn
- safety_code
- 26
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사8 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
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