4-(Pyrrolidin-1-yl)pyridin

4-Pyrrolidinopyridine

HCID 75567CAS 2456-81-7

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Grundinformationen

Standard-SMILES: c1cc(N2CCCC2)ccn1
InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
Summenformel: C9H12N2
Durchschnittliche Molmasse: 148,2 g/mol
Monoisotopische Masse: 148,10004838

Namen und Bezeichner

Bevorzugter Name: 4-Pyrrolidinopyridine
IUPAC: 4-pyrrolidin-1-ylpyridine
Lokaler Name: 4-(Pyrrolidin-1-yl)pyridin
Englischer Name: 4-Pyrrolidinopyridine
Summenformel: C9H12N2
Molmasse: 148.21

Namen und Synonyme

4-Pyrrolidinopyridine2456-81-7Pyridine, 4-(1-pyrrolidinyl)-4-pyrrolidino-pyridineDH59VKG9S4DTXSID90179299RefChem:526685DTXCID70101790219-534-24-(Pyrrolidin-1-yl)pyridine4-pyrrolidin-1-ylpyridine4-(1-Pyrrolidinyl)pyridine

Weitere Namen anzeigen

4-PPY4-PyrroL4-(1-PYRROLIDINO)PYRIDINEIOSTEROLidinopyridineTIMTEC-BB SBB004083Pyrrolidinyl pyridine

MFCD000064154-pyrrolidinylpyridineEINECS 219-534-2CHEMBL47548331-(4-Pyridyl)pyrrolidine4-(1-Pyrrolidinyl)pyridin4-pyrrolidin-1-yl-pyridine4-(1-Pyrrolidinyl)-pyridine; 4-(1-Pyrrolidino)pyridine; 4-(1-Pyrrolidinyl)pyridine; 4-(N-Pyrrolidinyl)pyridine

Datenbank-Bezeichner

CAS: 2456-81-7
PubChem CID: 75567
DTXSID: DTXSID90179299
ChEMBL: CHEMBL4754833
UNII: DH59VKG9S4
EC Number: 219-534-2
Nikkaji: J174K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 16,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 113

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-58 °C(lit.)
Siedepunkt: 171 · 171-173 °C (20.2527 mmHg)
Dichte: 1.0628 · 1.0628 (rough estimate)
Brechungsindex: 1.5378 · 1.5378 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 0.1 g/mL, · methanol: 0.1 g/mL, clear
pka: 9.58 · 9.58±0.10(Predicted)
Aggregatzustand: Crystalline Mass, Crystals and/or Chunks
Farbe: White to yellow to light brown
PH: 10.5 · 10.5 (3g/l, H2O, 21℃)
Wasserlöslichkeit: 3 g/L · 3 g/L (21 ºC)
BRN: 472443 · 472443
InChI: 1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2
InChIKey: RGUKYNXWOWSRET-UHFFFAOYSA-N
SMILES: C1CCN(C1)c2ccncc2
CAS Datenbank: 2456 · 2456-81-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information4-(1-Pyrrolidinyl) pyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

F: 8-10-23
wgk: 3
ridadr: UN 2923 8/PG 3
hs_code: 29333999
risk_code: 25-34-41-23/24/25
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-Pyrrolidinopyridine is the pyridine derivative. It can be used as catalyst employed in polymerization reactions or Hypernucleophilic acylation catalyst. For example, it can be used as the catalyst for the geometry-selective (E-selective) acylation of tetrasubstituted α, α'-alkenediols. It can also be used as the ligand in metal complexes such as the Chloride and pseudohalide hydride-carbonyl ruthenium(II) complexes.

VerwendenCatalyst employed in polymerization reactions. Ligand in metal complexes.