기본 정보
- CAS
26672-24-2- 표준 SMILES
COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc1N- InChIKey
YTIYUMNTOZTPCC-UHFFFAOYSA-N- 분자식
- C10H15NO8S2
- 평균 분자량
- 341.4 g/mol
- 단동위원소 질량
- 341.02390878
이름 및 식별자
- 우선 이름
- Ethanol, 2-((4-amino-2,5-dimethoxyphenyl)sulfonyl)-, 1-(hydrogen sulfate)
- IUPAC
- 2-(4-amino-2,5-dimethoxyphenyl)sulfonylethyl hydrogen sulfate
- 현지명
- 2-(4-AMINO-2,5-DIMETHOXY-PHENYL-SULFONYL)에탄올황산에스테르
- 영어명
- 2-(4-Amino-2,5-dimethoxy-phenyl-sulfonyl)ethanol sulfate ester
- 분자식
- C10H15NO8S2
- 분자량
- 341.358
이름 및 동의어
26672-24-2EINECS 247-896-1Ethanol, 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester)DTXSID8067232Ethanol, 2-((4-amino-2,5-dimethoxyphenyl)sulfonyl)-, 1-(hydrogen sulfate)Ethanol, 2-((4-amino-2,5-dimethoxyphenyl)sulfonyl)-, hydrogen sulfate (ester)Ethanol, 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate)RefChem:138256DTXCID80375422-((4-Amino-2,5-dimethoxyphenyl)sulfonyl)ethyl hydrogen sulfate2-(4-amino-2,5-dimethoxyphenyl)sulfonylethyl hydrogen sulfate2-((4-Amino-2,5-dimethoxyphenyl)-sulfonyl)ethyl hydrogen sulfate
이름 더 보기
2-(4-AMINO-2,5-DIMETHOXY-PHENYL-SULFONYL)에탄올황산에스테르VINYL SULPHONE ESTER OF 2:5 DMAVINYL SULF ESTER 2,5 DIMETHOXY ANILINEVINYL SULPHONE ESTER OF 2,5-DIMETHOXYANILINE2,5-Dimethoxy-4-(β-sulfatoethylsulfonyl)anilinesodiumsalt2-(4-amino-2,5-dimethoxyphenylsulfonyl)ethyl hydrogen sulfate2-(4-Amino-2,5-dimethoxy-phenyl-sulfonyl)ethanol sulfate ester2-[(4-amino-2,5-dimethoxyphenyl)sulphonyl]ethyl hydrogen sul...2-[(4-amino-2,5-dimethoxyphenyl)sulphonyl]ethyl hydrogen sulphateSulfuric acid hydrogen=2-(4-amino-2,5-dimethoxyphenylsulfonyl)ethyl ester
2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]ethyl hydrogen sulfateBXQ97AF88JSCHEMBL3481007SCHEMBL8819499YTIYUMNTOZTPCC-UHFFFAOYSA-N2-((4-Amino-2,5-dimethoxyphenyl)sulfonyl)ethylhydrogensulfate2-((4-Amino-2,5-dimethoxyphenyl)sulphonyl)ethyl hydrogen sulphateNS00028150
데이터베이스 식별자
- CAS
26672-24-2- PubChem CID
- 117838
- DTXSID
DTXSID8067232- UNII
- BXQ97AF88J
- EC Number
- 247-896-1
- Nikkaji
- J33.673D
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 520
물리화학적 성질
- 밀도
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- -3.92 · -3.92±0.18(Predicted)
- EPA
- 2 · Ethanol, 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester) (26672-24-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 18.2% (2 of 11) of reports.
Danger
H318 (81.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P261, P264+P265, P271, P280, P304+P340, P305+P354+P338, P317, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 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 CategoriesEye Dam. 1 (81.8%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-01310
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanol, 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, 1-(hydrogen sulfate): INACTIVE
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