O-(Diphenylphosphinyl)hydroxylamine

HCID 10955453

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Grundinformationen

CAS: 72804-96-7
Standard-SMILES: NOP(=O)(c1ccccc1)c1ccccc1
InChIKey: SJECIYLGISUNRO-UHFFFAOYSA-N
Summenformel: C12H12NO2P
Durchschnittliche Molmasse: 233,2 g/mol
Monoisotopische Masse: 233,06056525

Namen und Bezeichner

Bevorzugter Name: O-(Diphenylphosphinyl)hydroxylamine
IUPAC: O-diphenylphosphorylhydroxylamine
Englischer Name: O-Diphenylphosphinylhydroxylamine
Summenformel: C12H12NO2P
Molmasse: 233.2

Namen und Synonyme

72804-96-7O-(Diphenylphosphinyl)hydroxylamine(Aminooxy)diphenylphosphine oxideHydroxylamine, O-(diphenylphosphinyl)-O-(Diphenylphosphinyl)hydroxylamine [MI]2O9PF20T75RefChem:855148810-371-8O-DIPHENYLPHOSPHINYLHYDROXYLAMINEO-(diphenylphosphoryl)hydroxylamineamino diphenylphosphinateO-diphenylphosphorylhydroxylamine

Weitere Namen anzeigen

Azanyl P,P-diphenylphosphinatediphenylphosphinatephosphinyLO-DiphenyL(AMinooxy)diphenylphosphineoxidDiphenylphosphinylhydroxylamineTwoPhenylphosphonichydroxylaMine

MFCD12755701(aminooxy)(diphenyl)phosphine oxideo-(diphenylphosphinyl) hydroxylamine(Aminooxy)diphenylphosphine Oxide;C12H12NO2PUNII-2O9PF20T75O-(diphenylphosphinyl)-HydroxylamineSCHEMBL276503

Datenbank-Bezeichner

CAS: 72804-96-7
PubChem CID: 10955453
DTXSID: DTXSID40449717
UNII: 2O9PF20T75
EC Number: 810-371-8
Nikkaji: J1.795.719H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 236

Physikochemische Eigenschaften

Schmelzpunkt: 140 ℃ · >140℃ (decomposition)
Siedepunkt: 368 · 368.0±25.0 °C(Predicted)
Dichte: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Very Slightly, Sonicated)
pka: -1.65 · -1.65±0.70(Predicted)
Aggregatzustand: solid
Farbe: white
InChI: InChI=1S/C12H12NO2P/c13-15-16(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13H2
InChIKey: SJECIYLGISUNRO-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)(ON)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.3% (1 of 23) of reports.

Warning

H312 (78.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)

Sicherheitsdaten

wgk: 3

Chemie und Industrie

Anwendungen · 2 Einträge

VerwendenO-Diphenylphosphinylhydroxylamine is a versatile reactant used in the synthetic preparation of various products such as trans-acylaziridines and aldohydrazones.

BeschreibungO-Diphenylphosphinylhydroxylamine (DPPH) is a versatile electrophilic amination reagent that has been used widely for the amination of stable carbanions, Grignard reagents, and π-electron-rich nitrogen heterocycles. Researchers have used DPPH for the aziridination of enones. Compared to other hydroxylamine derivatives typically stored as hydrochloride salts, this activated phosphinyl reagent exhibits good stability and can be stored indefinitely at 0 ℃. This compound in a single step from hydroxylamine hydrochloride and diphenylphosphinic chloride[1].