Trimethylsulfonium iodide (HCID 75127)

名称と識別子

優先名称: Trimethylsulfonium iodide
IUPAC: trimethylsulfanium iodide
現地名: トリメチルスルホニウムヨージド
英語名: Trimethylsulfonium iodide
分子式: C3H9IS
分子量: 204.07

名称と別名

Trimethylsulfonium iodide2181-42-2Trimethylsulphonium iodideSulfonium, trimethyl-, iodideSulfonium, trimethyl-, iodide (1:1)4Z1LIZ2LUNNSC-36713DTXSID30883803RefChem:191822DTXCID001023289218-555-4Trimethylsulfoniumiodide

名称をさらに表示

トリメチルスルホニウムヨージドトリメチルスルホニウム·ヨージドトリメチルスルフォニウムアイオダイドよう化トリメチルスルホニウムトリメチルスルホニウムヨージド98%Trimethylsulfonium iodinefonium IodidetrimethylsulfaniumTrimethylsulfoniumiodidtrimethylsulfone iodidetrimethyl-sulfoniuiodiderimethylsulfanium,iodide

trimethylsulfanium iodideMFCD00011632trimethylsulfanium;iodidetrimethyl sulfonium iodideNSC36713AKOS000121145D92490Q2453392

データベース識別子

CAS: 2181-42-2
PubChem CID: 75127
DTXSID: DTXSID30883803
ChEMBL: CHEMBL25340
UNII: 4Z1LIZ2LUN
EC Number: 218-555-4

物性

構造計算による物性

極性表面積: 1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 8

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionColorless crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 215 · 215-220 °C (lit.)
比重(密度): 1.6554 · 1.6554 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: 400 g/リットル · 400g/リットル
外見: 結晶性粉末、結晶および/またはチャンク
色: 白から黄色
水溶解度: 溶ける
BRN: 3555192 · 3555192
InChI: InChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKey: VFJYIHQDILEQNR-UHFFFAOYSA-M
SMILES: [S+](C)(C)C.[I-]
CAS データベース: 2181 · 2181-42-2(CAS DataBase Reference)
NISTの化学物質情報: Trimethylsulfonium iodide(2181-42-2)
EPAの化学物質情報: Trimethylsulfonium iodide (2181-42-2)

化学的性質

化学的特性white to yellowish crystalline solid. Soluble in water, alcohol, tetrahydrofuran, dimethyl sulfoxide.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33060

Trimethylsulphonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 18 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

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

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: WR8750000
hs_code: 29309070
risk_code: 36/37/38
安衛法: 57,57-2
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

使用Trimethylsulfonium iodide is a salt that is usually dissolved in strong base in order to synthesize epoxides in-situ. Trimethylsulfonium iodide also has the potential to inhibit human placental diamine oxidase.

調製方法 · 2 件

製造方法Trimethylsulfoxonium iodide may be prepared by the reaction of dimethyl sulfoxide and iodomethane:(CH3)2SO + CH3I → (CH3)3SO+IAfter standing overnight, the resulting solid white cake is crushed and recrystallized from absolute ethanol to give pure trimethylsulfonium iodide.

純化方法Crystallise the iodide from EtOH. [Emeleus & Heal J Chem Soc 1126 1946, Swain & Kaiser J Am Chem Soc 80 4089 1958, Borredon et al. J Org Chem 55 501 1990, Bouda et al. Synth Commun 17 503 1987.]