Methoxydiphenylphosphin

Methoxydiphenylphosphine

HCID 77636CAS 4020-99-9

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Grundinformationen

Standard-SMILES: COP(c1ccccc1)c1ccccc1
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
Summenformel: C13H13OP
Durchschnittliche Molmasse: 216,21 g/mol
Monoisotopische Masse: 216,07040167

Namen und Bezeichner

Bevorzugter Name: Methoxydiphenylphosphine
IUPAC: methoxy(diphenyl)phosphane
Lokaler Name: Methoxydiphenylphosphin
Englischer Name: Diphenylmethoxyphosphine
Summenformel: C13H13OP
Molmasse: 216.22

Namen und Synonyme

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

Weitere Namen anzeigen

AURORA KA-1329DIPHENYLMETHOXYPHOSPHINEDiphenylphosphinooxymethaneMethoxydiphenylphosphine>(diphenylmethyl)oxyphosphineMethyl diphenylphosphinite 97%

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 153

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phosphite Compounds

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 149 °C6 · 149 °C6 mm Hg(lit.)
Dichte: 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.604(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Wichte: 1.078 · 1.078
Farbe: Clear colorless to very slightly yellow
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 Datenbank: 4020 · 4020-99-9(CAS DataBase Reference)
NIST chemische Informationen: Methyl diphenylphosphinite(4020-99-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenAsed 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