基本情報
- CAS
2001-45-8- 標準SMILES
[Cl-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
WAGFXJQAIZNSEQ-UHFFFAOYSA-M- 分子式
- C24H20ClP
- 平均分子量
- 374.8 g/mol
- 単同位体質量
- 374.09911495
名称と識別子
- 優先名称
- Tetraphenylphosphonium Chloride
- IUPAC
- tetraphenylphosphanium chloride
- 現地名
- テトラフェニルホスホニウムクロリド
- 英語名
- Tetraphenylphosphonium chloride
- 分子式
- C24H20ClP
- 分子量
- 374.84
名称と別名
名称をさらに表示
データベース識別子
- CAS
2001-45-8- PubChem CID
- 164911
- DTXSID
DTXSID00897533- ChEMBL
CHEMBL223885- EC Number
- 217-890-3
物性
構造計算による物性
- 極性表面積
- 0 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
- 4
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 301
実験および物理化学的性質
物理化学的性質
- 融点
- 272 · 272-274 °C(lit.)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- 結晶性粉末
- 色
- 白からベージュ
- 水溶解度
- 水に溶ける。
- BRN
- 3922393 · 3922393
- InChI
- InChI=1S/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1
- InChIKey
- WAGFXJQAIZNSEQ-UHFFFAOYSA-M
- SMILES
- [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Cl-]
- CAS データベース
- 2001 · 2001-45-8(CAS DataBase Reference)
化学的性質
化学的特性White to beige crystalline powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97.9%): 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 47 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
安全データ
- F
- 3-10
- wgk
- 3
- hs_code
- 29310095
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
応用分野
使用Tetraphenylphosphonium chloride is used to generate lipophilic salts from inorganic and organometallic anions. Thus, Ph4P+ is useful as a phase-transfer catalyst, again because it allows inorganic anions to dissolve in organic solvents.
調製方法
製造方法Tetraphenylphosphonium chloride(PPh4Cl) and many analogous compounds can be prepared by the reaction of chlorobenzene with triphenylphosphine catalysed by nickel salts:PhCl + PPh3 → Ph4PCl
純化方法Crystallise the chloride from acetone and dry at 70o under vacuum. It can also be recrystallised from a mixture of 1:1 or 1:2 dichloromethane/pet ether, the solvents having been dried over anhydrous K2CO3. The purified salt is dried at room temperature under a vacuum for 3days, and at 170o for a further 3days. Also recrystallise it from isoPrOH/Et2O or EtOH/Et2O. Extremely hygroscopic. [Wittig & Geissler Justus Liebigs Ann Chem 580 44, 50 1953, Willard et al. J Am Chem Soc 70 737 1948, Beilstein 16 III 851, 16 IV 984.]
上流・下流製品情報
上流原料
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関連反応
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