트리메틸술폭소늄 아이오다이드

Sulfoxonium, trimethyl-, iodide (1:1)

HCID 74498CAS 1774-47-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[S+](C)(C)=O.[I-]
InChIKey: BPLKQGGAXWRFOE-UHFFFAOYSA-M
분자식: C3H9IOS
평균 분자량: 220.07 g/mol
단동위원소 질량: 219.94188391

이름 및 식별자

우선 이름: Sulfoxonium, trimethyl-, iodide (1:1)
현지명: 트리메틸술폭소늄 아이오다이드
영어명: Trimethylsulfoxonium iodide
분자식: C3H9IOS
분자량: 220.07

이름 및 동의어

Trimethylsulfoxonium iodide1774-47-6Sulfoxonium, trimethyl-, iodide (1:1)S,S,S-Trimethylsulfoxonium iodideTrimethyl sulphoxonium ioidieEINECS 217-204-2NSC 71213Sulfonium, trimethyl-, iodide, oxidetrimethyl sulphoxonium iodideEC 217-204-2RefChem:186625Sulfoxonium, trimethyl, iodide

이름 더 보기

트리메틸술폭소늄아이오다이드트라이메틸설프옥소늄TMSOITrimethylsulfoxoniumTrimethyl sulfoxide iodideTrimethyl sulfoxiderimethylsulfoxonium iodideTrimethylsulfoxonium iodide, 98+%

S,S,STrimethylsulfoxonium iodideSulfonium, trimethyl, iodide, oxideTrimethylsulphoxonium iodideTrimethyloxosulfonium iodideSulfoxonium, trimethyl-, iodideTrimethyloxosulphonium iodideMFCD00011899C3H9IOS

데이터베이스 식별자

CAS: 1774-47-6
PubChem CID: 74498
DTXSID: DTXSID001014581
ChEMBL: CHEMBL283149
EC Number: 217-204-2

물성

구조 계산 물성

극성 표면적: 18.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 53

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 208 · 208-212 °C (dec.) (lit.)
밀도: 1.7074 · 1.7074 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 2 O: · H2O: 50 mg/mL, 투명
물리적 상태: 결정성 분말
색상: 흰색에서 밝은 노란색
수소이온지수(pH): pH(50g/l, 25℃) : 4.8～6.0
수용성: 15 g/L · 15 g/L (20 ºC)
BRN: 3595854 · 3595854
InChI: InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChIKey: BPLKQGGAXWRFOE-UHFFFAOYSA-M
SMILES: [S+](=O)(C)(C)C.[I-]
EPA: Sulfoxonium, trimethyl-, iodide (1774-47-6)

화학적 성질

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.

Warning

H303 (17%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 08-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15834

Sulfoxonium, trimethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Dimethyl sulfoxide. See Iodine for the TLV of Iodides.

Hazard Classes and CategoriesAcute Tox. 5 (17%)

안전 및 보호

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: WS3585000
HS 번호: 29309070
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36-24/25
기존화학 물질: KE-34686
F 고인화성물질: 8
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationSulfoxonium, trimethyl-, iodide (1:1): ACTIVE

응용 분야

용도Trimethylsulfoxonium Iodide is used to synthesize methylene-transfer reagents that are used in the preparation of epoxides.

상·하류 제품 정보

상류 원료

다이메틸 설폭사이드 요오드 메탄

하류 제품

스티렌옥사이드 1-BOC-4-HYDROXY-4-(하이드록시메틸)-피페리딘 2-(1-아다만틸)옥시란 10-메톡시-1,6-디메틸에르골린-8베타-메탄올 Methanone, [2-(4-methoxyphenyl)cyclopropyl]phenyl-2,3-dihydro-6-Methoxy-3-Methylene-1H-Isoindol-1-one 3-메틸노르카란-2-온 tetrahydro-3-(2-oxiranyl)Furan 2-메틸-1-(p-톨릴술포닐)아제티딘 Spiro[2.5]octane-1-carboxylic acid, 6-cyclohexyl-, methyl ester 벤조푸란,7-옥시라닐-(9CI)7-Bromo-2,3-dihydrobenzofuran-3-ol

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

南京一化生物科技有限公司13429882898; 13429882898

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