3-(Diethylboryl)pyridine

HCID 642851CAS 89878-14-8

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Grundinformationen

Standard-SMILES: CCB(CC)c1cccnc1
InChIKey: OJKBCQOJVMAHDX-UHFFFAOYSA-N
Summenformel: C9H14BN
Durchschnittliche Molmasse: 147,03 g/mol
Monoisotopische Masse: 147,12192985

Namen und Bezeichner

Bevorzugter Name: 3-(Diethylboryl)pyridine
IUPAC: diethyl(pyridin-3-yl)borane
Englischer Name: DIETHYL(3-PYRIDYL)BORANE
Summenformel: C9H14BN
Molmasse: 147.03

Namen und Synonyme

Diethyl(3-pyridyl)borane89878-14-83-(diethylboryl)pyridinepyridine, 3-(diethylboryl)-3-pyridyldiethylboranediethyl-3-pyridylborane3-pyridinyldiethylborane3BC5KW7BC53-DIETHYLBOROPYRIDINEUNII-3BC5KW7BC5DTXSID00349087EC 627-082-6

Weitere Namen anzeigen

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridineAbiraterone interMediateDiethyl(3-pyridyl)bo3-(diethyboryl)pyridineAbiraterone Impurity 35Abiraterone Impurity 70Abiraterone Impurity 03Dithyl (3-Pyridyl)borane

RefChem:92612DTXCID60300159InChI=1/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2HDiethyl(3-pyridinyl)borane3-(diethylboranyl)pyridinediethyl(pyridin-3-yl)boraneMFCD00012348C9H14BN

Datenbank-Bezeichner

CAS: 89878-14-8
PubChem CID: 642851
DTXSID: DTXSID00349087
UNII: 3BC5KW7BC5
EC Number: 627-082-6
Nikkaji: J633.155F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-175 °C(lit.)
Siedepunkt: 205.9 · 205.9±22.0 °C(Predicted)
Dichte: 0.86 · 0.86±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 4.4 · 4.40±0.12(Predicted)
Aggregatzustand: Solid
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKey: OJKBCQOJVMAHDX-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1B(CC)CC
CAS Datenbank: 89878 · 89878-14-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.6% (2 of 55) of reports.

Warning

H315 (89.1%): 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 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.