트리메틸술폭소늄 아이오다이드

트리메틸술폭소늄아이오다이드 · 트라이메틸설프옥소늄 · TMSOI · TRIMETHYLSULPHOXONIUM IODIDE · Trimethylsulfoxonium · Trimethyl sulfoxide iodide · TriMethyloxosulfoniuM Iodide · trimethyloxosulphonium iodide

https://huagongshe.com/ko/chemical/74498

식별자 및 물리적 특성

CAS No.	1774-47-6
분자식	C3H9IOS
평균 분자량	220.07 g/mol
단동위원소 질량	219.94188391 g/mol
SMILES	C[S+](C)(C)=O.[I-]
InChIKey	BPLKQGGAXWRFOE-UHFFFAOYSA-M
PubChem CID	74498
ChEMBL	CHEMBL283149
EC No.	217-204-2
DTXSID	DTXSID001014581
현지명	트리메틸술폭소늄 아이오다이드

화학 및 물리적 성질

극성 표면적	18.1
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	6
형식 전하	0
복잡도	53
물질 분류	Other Classes -> Sulfur Compounds
Physical Description	Yellow crystalline powder[Alfa Aesar MSDS]
녹는점	208-212 °C (dec.) (lit.)
밀도	1.7074 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	H2O: 50 mg/mL, 투명
물리적 상태	결정성 분말
색상	흰색에서 밝은 노란색
pH	pH(50g/l, 25℃) : 4.8～6.0
용해도	15 g/L (20 ºC)
BRN	3595854
InChI	InChI=1S/C3H9OS.HI/c1-5(2,3)4/h1-3H31H/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	This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.WarningH303 (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.
규제 정보	Status: Active Update: 08-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15834Sulfoxonium, trimethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Intravenous LD50 (mouse) = 180 mg/kg[RTECS] An irritant[Alfa Aesar MSDS] See Dimethyl sulfoxide. See Iodine for the TLV of Iodides.
Hazard Classes and Categories	Acute Tox. 5 (17%)
Threshold Limit Values (TLV)	0.01 [ppm], inhalable fraction and vapor (iodides)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	WS3585000
관세 코드	29309070
위험 문구(R)	36/37/38-22
위험 표시	Xn,Xi
안전 문구(S)	37/39-26-36-24/25
기존화학 물질	KE-34686
F 고인화성물질	8
저장 분류	11 - Combustible Solids

용도

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