기본 정보
- CAS
26244-33-7- 표준 SMILES
CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21- InChIKey
CXWYCAYNZXSHTF-UHFFFAOYSA-N- 분자식
- C11H12O5S
- 평균 분자량
- 256.28 g/mol
- 단동위원소 질량
- 256.04054465
이름 및 식별자
- 우선 이름
- Ethofumesate-2-keto
- IUPAC
- (3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate
- 영어명
- ETHOFUMESATE-2-KETO
- 분자식
- C11H12O5S
- 분자량
- 256.27
이름 및 동의어
Ethofumesate-2-keto26244-33-7CHEBI:83510DTXSID90343594RefChem:1084632DTXCID30294672(3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydrobenzofuran-5-yl methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl methanesulfonate2-Keto ethofumesate2(3H)-Benzofuranone, 3,3-dimethyl-5-[(methylsulfonyl)oxy]-SCHEMBL11258896
이름 더 보기
EthofumesateImpurity1Ethofumesate-2-keto 10.0 μg/ml CyclohexaneEthofumesate-2-keto 10 μg/mL in CyclohexaneEthofumesate Impurity 1 (Ethofumesate-2-keto)3,3-Dimethyl-5-[(methylsulfonyl)oxy]-2(3H)-benzofuranone2,3-dihydro-3-3-dimethyl-2-oxo-5-benzofuranylmethanesulfonate(S)-Cyano(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylateMethane sulfonic acid 3,3-dimethyl-2-oxo-2,3-dihydrobenzofuran-5-yl ester, 3,3-Dimethyl-2-oxo-2,3-dihydrobenzofurane-5-yl methane sulfonate
ethofumesate 2-keto (NC 9607)2(3H)-Benzofuranone, 5-hydroxy-3,3-dimethyl-, methanesulfonateBBA24433MFCD01632378MSK22222-100ANS00004001EN300-298049Ethofumesate-2-keto 10 |Ig/mL in Cyclohexane
데이터베이스 식별자
- CAS
26244-33-7- PubChem CID
- 590774
- DTXSID
DTXSID90343594- ChEBI
CHEBI:83510- Nikkaji
- J125.117A
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 78.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 420
물리화학적 성질
- 끓는 점
- 396.9 · 396.9±42.0 °C(Predicted)
- 밀도
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- 주요 응용
- 농업환경
- InChI
- 1S/C11H12O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6H,1-3H3
- InChIKey
- CXWYCAYNZXSHTF-UHFFFAOYSA-N
- SMILES
- CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN3077 9/PG 3
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Ethofumesate-2-keto is a sulfinated benzofuran compound. It is the major product of the degradation products that were found after applying Ethofumesate (E895103(P)) to dry soil. A herbicide. It is also an intermediate in the synthesis of HMSPP (H115020), a metabolite of Ethofumesate.
공급사11 곳
济南百隆化学有限公司[email protected] · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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