トリフェニルホスフィン オキシド
Triphenylphosphine Oxide
基本情報
- CAS
791-28-6- 標準SMILES
O=P(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
FIQMHBFVRAXMOP-UHFFFAOYSA-N- 分子式
- C18H15OP
- 平均分子量
- 278.3 g/mol
- 単同位体質量
- 278.0860521
概要
Triphenylphosphane oxide is a phosphine oxide in which the substituents on phosphorus are three phenyl groups.
名称と識別子
- 優先名称
- Triphenylphosphine Oxide
- IUPAC
- diphenylphosphorylbenzene
- 現地名
- トリフェニルホスフィン オキシド
- 英語名
- Triphenylphosphine oxide
- 分子式
- C18H15OP
- 分子量
- 278.28
名称と別名
TRIPHENYLPHOSPHINE OXIDE791-28-6Phosphine oxide, triphenyl-Triphenyl phosphorus oxideTriphenyl phosphine oxideDTXSID2022121TRIPHENYLPHOSPHINE MONOXIDEZ69161FKI3phosphorane, triphenyl-, oxideDTXCID402121NSC-398RefChem:191910
名称をさらに表示
トリフェニルホスフィン オキシドトリフェニルホスフィンオキシドトリスフェニルホスフィンオキシドトリフェニルフォスフィンオキシドトリフェニルホスフィンオキサイドトリフェニルホスフィン=オキシドORLISTAT RELATED COMPOUND C (トリフェニルホスフィンオキシド)トリフェニルホスフィンオキシド, 98%(ジフェニルホスホロソ)ベンゼンTPOTTPO(C6H5)3P=OOrlistat Related CoMpound CTriphenylphosphinoxidTrisphenylphosphine oxide
212-338-8diphenylphosphorylbenzenetriphenylphosphane oxideTriphenylphosphineoxide(diphenylphosphoroso)benzeneTriphenylphosphanoxidTPPOPH3PO
データベース識別子
- CAS
791-28-6- PubChem CID
- 13097
- DTXSID
DTXSID2022121- ChEMBL
CHEMBL482091- ChEBI
CHEBI:36601- UNII
- Z69161FKI3
- EC Number
- 212-338-8
- Nikkaji
- J541J
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 17.1 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
- 281
実験および物理化学的性質
Chemical Classes
Other Classes -> Phosphorus Compounds
Industrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.85
Physical DescriptionSolid; [IUCLID] Beige crystalline solid; [Aldrich MSDS]
Collision Cross Section162.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022121]
物理化学的性質
- 融点
- 150 · 150-157 °C(lit.)
- 沸点
- 360 °C · 360 °C
- 比重(密度)
- 1 · 1,212 g/cm3
- 蒸気圧
- 1 hPa · <1 hPa (50 °C)
- 闪点
- 180 °C · 180 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 25 mg/mL、透明 · メタノール: 25 mg/mL、透明
- 外見
- 結晶性粉末またはフレーク
- 比重
- 1.212 · 1.212
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.
Warning
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 245 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Phosphine oxide, triphenyl-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: Triphenylphosphine oxide (EC: 212-338-8)
Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions, aggression, and dyspnea in oral lethal-dose studies of dogs (LD50 = 500 mg/kg); [RTECS] Causes liver injury in 3-month feeding study of dogs at 2,000 ppm; [IUCLID] An irritant; Harmful by ingestion; Targets nerves; [Aldrich MSDS] See Triphenylphosphine.
Hazard Classes and Categories
Acute Tox. 4 (98%)
Acute toxicity (Oral) - Category 4
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
RAIS Toxicity Values
0.02
PPRTV Current
0.02
PPRTV Current
化学と産業
用途と製造
UsesUsed for processing (extraction, separation, and spectrophotometric determination) environmental samples of cadmium and mercury; [ChemIDplus]
General Manufacturing InformationPhosphine oxide, triphenyl-: ACTIVE
応用分野
説明Triphenylphosphine oxide (TPPO) is a coordinating solvent used to activate crystallization of chemical compounds. It has been used in flame retardant applications, as an epoxy cure catalyst, and more recently, to produce nanostructures.
使用Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions
調製方法
純化方法It crystallises from absolute EtOH and is dried in vacuo. The gold chloride complex has m 177.5-178.5o. [Addison & Sheldon J Chem Soc 2705 1956, Cox & Westheimer J Am Chem Soc 80 5441 1958, Beilstein 16 III 864, 16 1011.]
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