メトキシジフェニルホスフィン

Methoxydiphenylphosphine

HCID 77636CAS 4020-99-9

部分構造検索類似構造を探す

基本情報

標準SMILES: COP(c1ccccc1)c1ccccc1
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
分子式: C13H13OP
平均分子量: 216.21 g/mol
単同位体質量: 216.07040167

名称と識別子

優先名称: Methoxydiphenylphosphine
IUPAC: methoxy(diphenyl)phosphane
現地名: メトキシジフェニルホスフィン
英語名: Diphenylmethoxyphosphine
分子式: C13H13OP
分子量: 216.22

名称と別名

MethoxydiphenylphosphineMethyl diphenylphosphiniteEINECS 223-683-9NSC 171167DTXSID80193202RefChem:811807DTXCID50115693223-683-94020-99-9methoxy(diphenyl)phosphaneDiphenylphosphinous Acid Methyl EsterMFCD00048025

名称をさらに表示

メトキシジフェニルホスフィンジフェニルホスフィノオキシメタンメトキシジフェニルホスファンジフェニル亜ホスフィン酸メチルメチルジフェニルホスフィニットAURORA KA-1329DIPHENYLMETHOXYPHOSPHINEDiphenylphosphinooxymethaneMethoxydiphenylphosphine>(diphenylmethyl)oxyphosphineMethyl diphenylphosphinite 97%

Phosphinous acid, diphenyl-, methyl estermethoxydiphenylphosphaneSCHEMBL187947Methyl diphenylphosphinite, 97%NSC171167AKOS015905171NSC-171167SY048353

データベース識別子

CAS: 4020-99-9
PubChem CID: 77636
DTXSID: DTXSID80193202
EC Number: 223-683-9
Nikkaji: J217.833H

物性

構造計算による物性

XLogP: 3.1
極性表面積: 9.2 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: 3
重原子数: 15
形式電荷: 0
複雑度: 153

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphite Compounds

Physical DescriptionLiquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 149 °C6 · 149 °C6 mm Hg(lit.)
比重(密度): 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.604(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
比重: 1.078 · 1.078
色: 無色透明～ごくわずかに黄色
BRN: 1640480 · 1640480
InChI: InChI=1S/C13H13OP/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)OC
CAS データベース: 4020 · 4020-99-9(CAS DataBase Reference)
NISTの化学物質情報: Methyl diphenylphosphinite(4020-99-9)

化学的性質

化学的特性Colorless to light yellow liqui

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Triphenylphosphine. See Dimethyl phenylphosphonite.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29310099
risk_code: 36/37/38-20/21/22
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-37/39-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Ased as:Catalyst for hydroformylative desymmetrization of bisalkenyl carbinols and bishomoallylic carbinolsLigand in rhodium-catalyzed hydroformylation of bishomoallylic alcoholsCalatyst in preparation of γ-lactones via branched-regioselective hydroformylation reactionsLigand for nickel-catalyzed hydrocyanation reactionsCatalyst in annulation reactions