6,7-Dihydro-5H-cyclopenta[b]pyridin

Pyrindan

HCID 68292CAS 533-37-9

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Grundinformationen

Standard-SMILES: c1cnc2c(c1)CCC2
InChIKey: KRNSYSYRLQDHDK-UHFFFAOYSA-N
Summenformel: C8H9N
Durchschnittliche Molmasse: 119,16 g/mol
Monoisotopische Masse: 119,07349929

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Pyrindan
IUPAC: 6,7-dihydro-5H-cyclopenta[b]pyridine
Lokaler Name: 6,7-Dihydro-5H-cyclopenta[b]pyridin
Englischer Name: Cyclopenta[b]pyridine
Summenformel: C8H9N
Molmasse: 119.16

Namen und Synonyme

2,3-Cyclopentenopyridine533-37-96,7-Dihydro-5H-cyclopenta[b]pyridinePyrindan5H-1-Pyrindine, 6,7-dihydro-6,7-Dihydro-5H-cyclopenta(b)pyridine5H-cyclopenta[b]pyridine, 6,7-dihydro-6,7-dihydro-5H-[1]pyrindineEINECS 208-564-118Z19A103WDTXSID702014466,7-DIHYDRO-5H-PYRINDINE

Weitere Namen anzeigen

1-pyrindan7-AzaindaneCyclopentenopyridineyclopenta[b]pyridine2,3-CYCLOPENTAPYRIDINE3-Cyclopentenopyridine2,3-CYDOPENTENO PYRIDINE1H-cyclopenta[b]pyridine

6,7-DIHYDRO-5H-(1)PYRINDINE5H-CYCLOPENTA(B)PYRIDINE, 6,7-DIHYDRO-RefChem:870965DTXCID701239376,7Dihydro5Hcyclopenta(b)pyridine208-564-1InChI=1/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5HCyclopenta[b]pyridine

Datenbank-Bezeichner

CAS: 533-37-9
PubChem CID: 68292
DTXSID: DTXSID70201446
UNII: 18Z19A103W
EC Number: 208-564-1
Nikkaji: J147.225I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical DescriptionDark brown liquid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 117 °C · 117 °C
Siedepunkt: 87 · 87-88 °C/11 mmHg (lit.)
Dichte: 1.018 g/mL · 1.018 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.544(lit.)
Flammpunkt: 153 °F · 153 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: clear liquid
pka: 6.19 · 6.19±0.20(Predicted)
Farbe: Colorless to Red to Green
InChI: 1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChIKey: KRNSYSYRLQDHDK-UHFFFAOYSA-N
SMILES: C1Cc2cccnc2C1
CAS Datenbank: 533 · 533-37-9(CAS DataBase Reference)
NIST chemische Informationen: 5 H-1-Pyrindine, · 5H-1-Pyrindine, 6,7-dihydro-(533-37-9)

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

Gefahrenhinweise

Regulatory InformationChemical: 5H-1-Pyrindine, 6,7-dihydro-

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See Pyridine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.