2-Phenylpyridin

2-Phenylpyridine

HCID 13887CAS 1008-89-5

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Grundinformationen

Standard-SMILES: c1ccc(-c2ccccn2)cc1
InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N
Summenformel: C11H9N
Durchschnittliche Molmasse: 155,2 g/mol
Monoisotopische Masse: 155,07349929

Überblick

2-phenylpyridine has been reported in Camellia sinensis with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Phenylpyridine
IUPAC: 2-phenylpyridine
Lokaler Name: 2-Phenylpyridin
Englischer Name: 2-Phenylpyridine
Summenformel: C11H9N
Molmasse: 155.2

Namen und Synonyme

2-PHENYLPYRIDINE1008-89-5Pyridine, 2-phenyl-NSC-892912Y6S09838QDTXSID6074417RefChem:89106DTXCID6032560213-763-1o-Phenylpyridine2-(Phenyl-2-D)pyridine2-phenyl-pyridine

Weitere Namen anzeigen

2-Phenylpridinea-Phenylpyridine2-Azabiphenyl2-Pyridylbenzene2-phenyl-pyridinPhenylpyridine,95%2-Phenylpyridine>

MFCD00006280372492-47-2phenylpyridineEINECS 213-763-1NSC 89291phenyl pyridineUNII-2Y6S09838Q2-phenyl pyridine

Datenbank-Bezeichner

CAS: 1008-89-5
PubChem CID: 13887
DTXSID: DTXSID6074417
ChEMBL: CHEMBL1193163
UNII: 2Y6S09838Q
EC Number: 213-763-1
Nikkaji: J45.968B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 127

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP2.6

Vapor Pressure0.0028 [mmHg]

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -5 °C · -5°C
Siedepunkt: 268 · 268-270 °C (lit.)
Dichte: 1.086 g/mL · 1.086 g/mL at 25 °C (lit.)
Dampfdruck: 0.5 hPa · <0.5 hPa (30 °C)
Brechungsindex: 20 · n20/D 1.623(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Liquid
pka: 4.44 · 4.44±0.25(Predicted)
Wichte: 1.086 · 1.086
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Fully miscible with ethanol, acetone, toluene, methylene chloride. Not miscible in water.
BRN: 110445 · 110445
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2ccccn2
CAS Datenbank: 1008 · 1008-89-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2-phenyl-(1008-89-5)
EPA chemische Informationen: 2 · Pyridine, 2-phenyl- (1008-89-5)

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pyridine, 2-phenyl-

2-Phenylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Pyridine and 2,2'-Bipyridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10
wgk: 3
tsca: No
hs_code: 29333999
RTECS-Nr.: UT7140900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT, IRRITANT-HARMFUL
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Phenylpyridine has been studied as a dopamine d3 receptor selective ligand with potential application for treatment of drug addictions, schizophrenia and Parkinson’s disease.