2-Pyridyldiphenylphosphine

HCID 621893CAS 37943-90-1

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Grundinformationen

Standard-SMILES: c1ccc(P(c2ccccc2)c2ccccn2)cc1
InChIKey: SVABQOITNJTVNJ-UHFFFAOYSA-N
Summenformel: C17H14NP
Durchschnittliche Molmasse: 263,27 g/mol
Monoisotopische Masse: 263,08638645

Namen und Bezeichner

Bevorzugter Name: 2-Pyridyldiphenylphosphine
IUPAC: diphenyl(pyridin-2-yl)phosphane
Englischer Name: Diphenyl-2-pyridylphosphine
Summenformel: C17H14NP
Molmasse: 263.27

Namen und Synonyme

2-PyridyldiphenylphosphineRefChem:588876Diphenyl-2-pyridylphosphine37943-90-12-(Diphenylphosphino)pyridinediphenyl(2-pyridyl)phosphane2-(diphenylphosphanyl)pyridinediphenyl(pyridin-2-yl)phosphanediphenyl(2-pyridyl)phosphine2-Diphenylphosphanyl-pyridineMFCD00192108C17H14NP

Weitere Namen anzeigen

-2-pyridyLDPPPY/DIPHENYL-2-PYRIDYLDiphenyl-2-pyridylphosphine>Diphenyl-2-pyridylphosphine 97%

4K685YSU7YF0848-0271diphenyl(2-pyridinyl)phosphine2-(Diphenylphosphino)pyridine; 2-Pyridyldiphenylphosphine; Diphenyl(2-pyridinyl)phosphine;diphenyl-2-pyridylphosphin2-pyridyl diphenylphosphine2-diphenylphosphanylpyridinediphenyl-2-pyridyl-phosphine

Datenbank-Bezeichner

CAS: 37943-90-1
PubChem CID: 621893
DTXSID: DTXSID00347462
ChEMBL: CHEMBL1725770
UNII: 4K685YSU7Y
EC Number: 629-049-1
Nikkaji: J814.772H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 19
Formalladung: 0
Komplexität: 238

Experimentelle und physikochemische Eigenschaften

Solubility10 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-84 °C (dec.) (lit.)
Siedepunkt: 163 °C · 163 °C(Press: 0.05 Torr)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in toluene. (almost transparency)
pka: 2.37 · 2.37±0.12(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to yellow to tan
InChI: InChI=1S/C17H14NP/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17/h1-14H
InChIKey: SVABQOITNJTVNJ-UHFFFAOYSA-N
SMILES: C1(P(C2=CC=CC=C2)C2=CC=CC=C2)=NC=CC=C1
CAS Datenbank: 37943 · 37943-90-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (95.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)；Aquatic Chronic 4 (95.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenDiphenyl-2-pyridylphosphine is an organophosphorous compound that is a widely used mono-pyridylphosphine ligand in transition metal complexes for catalysis.