3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

HCID 3866161CAS 445264-60-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1cncc(B2OC(C)(C)C(C)(C)O2)c1
InChIKey: HENXUFOAGXNWKH-UHFFFAOYSA-N
Summenformel: C12H18BNO3
Durchschnittliche Molmasse: 235,09 g/mol
Monoisotopische Masse: 235,13797384

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Englischer Name: 3-Methoxypyridine-5-boronic acid pinacol ester
Summenformel: C12H18BNO3
Molmasse: 235.09

Namen und Synonyme

445264-60-83-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID10397599RefChem:280426DTXCID40348458834-020-33-Methoxypyridine-5-boronic acid pinacol ester5-Methoxy-3-pyridineboronic acid pinacol ester3-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine3-Methoxy-5-pyridineboronic acid pinacol esterMFCD03412068Pyridine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Weitere Namen anzeigen

5-methoxypyridine-3-boryl ester5-methoxy-3-pyridine borate acidpyridineboronic acid pinacol ester5-Methoxy-3-pyridylboronic Acid Pinacol Ester(3-Methoxypyridin-5-yl)boronic acid pinacol est(3-Methoxypyridin-5-yl)boronic acid pinacol ester

(5-METHOXYPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER5-Methoxypyridine-3-boronic acid, pinacol ester3-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine5-Methoxypyridine-3-boronic acid pinacol esterMethoxypyridine-3-boronic acid,pinacolesterFT-06947713-METHOXY-5-(PINACOLBORANATO)PYRIDINE

Datenbank-Bezeichner

CAS: 445264-60-8
PubChem CID: 3866161
DTXSID: DTXSID10397599
EC Number: 834-020-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 267

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-108℃
Siedepunkt: 346.34 · 346.340±27.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.067 · 1.067±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
pka: 4.786 · 4.786±0.10(predicted)
Farbe: White to Almost white
InChI: 1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-10(15-5)8-14-7-9/h6-8H,1-5H3
InChIKey: HENXUFOAGXNWKH-UHFFFAOYSA-N
SMILES: COc1cncc(c1)B2OC(C)(C)C(C)(C)O2

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.