Diphenylphosphinamide

HCID 853560CAS 5994-87-6

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Grundinformationen

Standard-SMILES: NP(=O)(c1ccccc1)c1ccccc1
InChIKey: RIGIWEGXTTUCIQ-UHFFFAOYSA-N
Summenformel: C12H12NOP
Durchschnittliche Molmasse: 217,2 g/mol
Monoisotopische Masse: 217,065651

Namen und Bezeichner

Bevorzugter Name: Diphenylphosphinamide
IUPAC: [amino(phenyl)phosphoryl]benzene
Englischer Name: DIPHENYLPHOSPHINAMIDE
Summenformel: C12H12NOP
Molmasse: 217.2

Namen und Synonyme

Diphenylphosphinamide5994-87-6DTXSID40357449RefChem:338989DTXCID50308508626-207-1P,P-diphenylphosphinic amide[amino(phenyl)phosphoryl]benzene[amino(phenyl)phosphoroso]benzeneMFCD00014766C12H12NOPDiphenylphosphinamide,98%

Weitere Namen anzeigen

Diphenyl phosphinic acid amide

Diphenylphosphinamide, 97%AURORA KA-1558SCHEMBL1382562SCHEMBL1382564Phosphinic amide, P,P-diphenyl-RIGIWEGXTTUCIQ-UHFFFAOYSA-NDiphenyl phosphinic acid amideAKOS004909980

Datenbank-Bezeichner

CAS: 5994-87-6
PubChem CID: 853560
DTXSID: DTXSID40357449
EC Number: 626-207-1
Nikkaji: J900.162J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 43,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-162°C
Siedepunkt: 368.1 · 368.1±25.0 °C(Predicted)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Soluble in chloroform, nitromethane, nitrobenzene.
Aggregatzustand: solid
pka: 1.56 · 1.56±0.70(Predicted)
InChI: InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChIKey: RIGIWEGXTTUCIQ-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)(N)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.