기본 정보
- CAS
20035-08-9- 표준 SMILES
CCS(=O)O- InChIKey
RQIFXTOWUNAUJC-UHFFFAOYSA-N- 분자식
- C2H6O2S
- 평균 분자량
- 94.14 g/mol
- 단동위원소 질량
- 94.0088506
이름 및 식별자
- 우선 이름
- Ethanesulfinic acid
- IUPAC
- ethanesulfinic acid
- 영어명
- Sodium ethanesulfinate
- 분자식
- C2H5NaO2S
- 분자량
- 116.11
이름 및 동의어
Ethanesulfinic acid598-59-4DTXSID40331128RefChem:340148DTXCID4028222220035-08-9InChI=1/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4Ethanesulfinicacidethyl sulfinic acidSCHEMBL491082SCHEMBL491083SCHEMBL7050189
이름 더 보기
Nsc371084ethanesulfinateSodium Ethanesulfinatesodium 1-sulfinatoethaneETHANE SULFINIC ACID SODIUMETHANE SULFINIC ACID SODIUM SALTEthanesulfinic acid, sodium salt (8CI,9CI)
SCHEMBL7050192RQIFXTOWUNAUJC-UHFFFAOYSA-NAKOS030229291DB-072709EN300-267650
데이터베이스 식별자
- CAS
20035-08-9、598-59-4- PubChem CID
- 435496
- DTXSID
DTXSID40331128- EC Number
- 812-301-1
- Nikkaji
- J1.976.197E
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 56.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 42
물리화학적 성질
- 녹는점
- 292 °C · 292°C
- 밀도
- 1.372 · 1.372
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- solid
- InChI
- InChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
- InChIKey
- UWIVVFQECQYHOB-UHFFFAOYSA-M
- SMILES
- S(CC)(=O)[O-].[Na+]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도The following Baran Sulfinate is a part of a toolbox of diversification reagents, which are ideal for the late-stage functionalization of nitrogen-containing heterocycles. The regioselectivity can be effectively tuned by modification of the pH and solvent selection.Radical-Based Regioselective C–H Functionalization of Electron-Deficient Heteroarenes: Scope; Tunability; and Predictability
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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