基本情報
- 標準SMILES
[Cl-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1- InChIKey
ZFEAYIKULRXTAR-UHFFFAOYSA-M- 分子式
- C18H15S.Cl
- 平均分子量
- 298.8 g/mol
- 単同位体質量
- 298.05829916
概要
RN given refers to chloride
名称と識別子
- 優先名称
- Triphenylsulfonium chloride
- IUPAC
- triphenylsulfanium chloride
- 現地名
- トリフェニルスルホニウム·クロリド
- 英語名
- Triphenylsulfonium chloride
- 分子式
- C18H15ClS
- 分子量
- 298.83
名称と別名
名称をさらに表示
データベース識別子
- CAS
4270-70-6- PubChem CID
- 61343
- DTXSID
DTXSID5052096- UNII
- 93VMP8WB2Z
- EC Number
- 224-259-6
物性
構造計算による物性
- 極性表面積
- 1 Ų
- 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
- 3
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 202
物理化学的性質
- 融点
- 277 °C · 277 °C
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 外見
- powder
- 色
- Faint yellow
- 水溶解度
- 水に溶ける。
- InChI
- InChI=1S/C18H15S.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;1H/q+1;/p-1
- InChIKey
- ZFEAYIKULRXTAR-UHFFFAOYSA-M
- SMILES
- [S+](C1=CC=CC=C1)(C1=CC=CC=C1)C1C=CC=CC=1.[Cl-]
- CAS データベース
- 4270 · 4270-70-6(CAS DataBase Reference)
- EPAの化学物質情報
- Triphenylsulfonium chloride (4270-70-6)
安全と法規制
GHS分類
GHS Classification
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Sulfonium, triphenyl-, chloride
Sulfonium, triphenyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- wgk
- 3
- hs_code
- 2930909899
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
化学と産業
応用分野
使用Triphenylsulfonium chloride is used as a key intermediate that is widely used in the new electronic chemicals such as semiconductor, LCD and TFT. It is also used as a photoacid generator (PAG) in Catalyst activation through in situ photogeneration of ligands.
調製方法
製造方法Triphenylsulfonium Chloride Synthesis: Diphenyl sulfoxide, 40 g (0.2 mole), was dissolved in 400 g of dichloroethane, which was stirred under ice cooling. At a temperature below 20° C., 65 g (0.6 mole) of trimethylsilyl chloride was added dropwise to the solution, which was aged for 30 minutes at the temperature. Then, a Grignard reagent which had been prepared from 14.6 g (0.6 mole) of metallic magnesium, 67.5 g (0.6 mole) of chlorobenzene and 168 g of tetrahydrofuran (THF) was added dropwise at a temperature below 20° C. The reaction solution was aged for one hour, after which 50 g of water at a temperature below 20° C. was added to quench the reaction. To this solution, 150 g of water, 10 g of 12N hydrochloric acid, and 200 g of diethyl ether were further added.The water layer was separated and washed with 100 g of diethyl ether, yielding an aqueous solution of triphenylsulfonium chloride. The compound in aqueous solution form was used in the subsequent reaction without further isolation.
上流・下流製品情報
上流原料
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