3-Phenylpyridin

3-Phenylpyridine

HCID 13886CAS 1008-88-4

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Grundinformationen

Standard-SMILES: c1ccc(-c2cccnc2)cc1
InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
Summenformel: C11H9N
Durchschnittliche Molmasse: 155,2 g/mol
Monoisotopische Masse: 155,07349929

Namen und Bezeichner

Bevorzugter Name: 3-Phenylpyridine
IUPAC: 3-phenylpyridine
Lokaler Name: 3-Phenylpyridin
Englischer Name: 3-Phenylpyridine
Summenformel: C11H9N
Molmasse: 155.2

Namen und Synonyme

3-PHENYLPYRIDINE1008-88-4Pyridine, 3-phenyl-EDZ6KB7JVCDTXSID0061404RefChem:95356DTXCID7032559213-762-63-Phenyl-pyridinem-PhenylpyridineMFCD000063805-phenylpyridine

Weitere Namen anzeigen

Phenylpyridine3-Azabiphenyl3-Phenylpridine3-pyridylbenzenePHENYLPYRIDINE(3-)3-Phenylpyridine>

3-PhenyIpyridineUNII-EDZ6KB7JVCss-Phenylpyridine3-phenyl pyridine3-(phenyl)pyridineEINECS 213-762-63-phenylpyridine, 333-Phenylpyridine, 97%

Datenbank-Bezeichner

CAS: 1008-88-4
PubChem CID: 13886
DTXSID: DTXSID0061404
ChEMBL: CHEMBL34657
UNII: EDZ6KB7JVC
EC Number: 213-762-6
Nikkaji: J45.969K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
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

Kovats Retention Index · 3 Einträge

1423；1420；1426；1442

1470；1469；1465.4；1459.1；249；249.84；250.03

2293；2243；2200；2243；2247；2207；2216

Physikochemische Eigenschaften

Schmelzpunkt: 164 °C · 164°C
Siedepunkt: 269 · 269-270 °C/749 mmHg (lit.)
Dichte: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.616(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Soluble in chloroform, dichloromethane and ethyl acetate.
pka: 4.85 · 4.85±0.10(Predicted)
Aggregatzustand: Oil
Farbe: Clear Colourless
Wichte: 1.082 · 1.082
Wasserlöslichkeit: 0.46 g/L · 0.46g/L
BRN: 110400 · 110400
InChI: 1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
SMILES: c1ccc(cc1)-c2cccnc2
CAS Datenbank: 1008 · 1008-88-4(CAS DataBase Reference)
NIST chemische Informationen: 3 · Pyridine, 3-phenyl-(1008-88-4)
EPA chemische Informationen: 3 · 3-Phenylpyridine (1008-88-4)

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 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 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.