2,6-Diphenylpyridin

2,6-Diphenylpyridine

HCID 72920

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Grundinformationen

CAS: 3558-69-8
Standard-SMILES: c1ccc(-c2cccc(-c3ccccc3)n2)cc1
InChIKey: PJUOHDQXFNPPRF-UHFFFAOYSA-N
Summenformel: C17H13N
Durchschnittliche Molmasse: 231,29 g/mol
Monoisotopische Masse: 231,10479942

Namen und Bezeichner

Bevorzugter Name: 2,6-Diphenylpyridine
IUPAC: 2,6-diphenylpyridine
Lokaler Name: 2,6-Diphenylpyridin
Englischer Name: 2,6-Diphenylpyridine
Summenformel: C17H13N
Molmasse: 231.29

Namen und Synonyme

2,6-Diphenylpyridine3558-69-8Pyridine, 2,6-diphenyl-ZI75V15Y1TNSC-133378DTXSID7022209RefChem:833622,5DPhPy3,5DPhPy2,6-DPhPyDTXCID202209222-620-2

Weitere Namen anzeigen

DiphenylpyridineAbametapir Impurity 32,6-Diphenylpyridine>2,6-DIPHENYLPYRIDINE 97%2,6-Diphenylpyridine,97%2,6-DIPHENYLPYRIDINE 99+%

2,6-diphenyl-pyridineMFCD00006284EINECS 222-620-2UNII-ZI75V15Y1TNSC1333782,6-diphenyl pyridine2,6-Diphenyl-pyridinMaybridge3_000511

Datenbank-Bezeichner

CAS: 3558-69-8
PubChem CID: 72920
DTXSID: DTXSID7022209
ChEMBL: CHEMBL1330164
UNII: ZI75V15Y1T
EC Number: 222-620-2
Nikkaji: J149.747B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 214

Experimentelle und physikochemische Eigenschaften

Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)

Vapor Pressure0.00000132 [mmHg]

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-77 °C
Siedepunkt: 210 °C · 210°C 3mm
Dichte: 1.1024 · 1.1024 (rough estimate)
Brechungsindex: 1.5515 · 1.5515 (estimate)
Flammpunkt: 210 °C/3mm · 210°C/3mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 3.83 · 3.83±0.10(Predicted)
Farbe: White to Light yellow to Light orange
Wasserlöslichkeit: Insoluble in water.
BRN: 7516 · 7516
CAS Datenbank: 3558 · 3558-69-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Sicherheitsdaten

hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36/37-26

Chemie und Industrie

Anwendungen

Verwenden2,6-Diphenylpyridine is used as a tridentate [CNC] dianionic ligand in organogold(III) chemistry, an intermediate. It readily adds an electron from alkali metals in THF to give a radical anion which is a powerful reducing agent.