1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one

HCID 45480194

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Grundinformationen

CAS: 1002309-52-5
Standard-SMILES: Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O
InChIKey: IJUNZKOKAXJGRQ-UHFFFAOYSA-N
Summenformel: C12H18BNO3
Durchschnittliche Molmasse: 235,09 g/mol
Monoisotopische Masse: 235,13797384

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
IUPAC: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
Englischer Name: 2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
Summenformel: C12H18BNO3
Molmasse: 235.09

Namen und Synonyme

1002309-52-51-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyridin-2-one1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-oneMFCD110446831-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one2(1H)-PYRIDINONE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol esterN-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID, PINACOL ESTERSCHEMBL506071DTXSID70670234IJUNZKOKAXJGRQ-UHFFFAOYSA-N

Weitere Namen anzeigen

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyri...1-methyl-6-oxo-1,6-dihydropyridin-3-ylboronic acid pinacol ester1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2(1H)-PYRIDINONE

N-METHYL-1H-PYRIDIN-2-ON-METHYL-1H-PYRIDIN-2-ONE-5-BORONIC ACID PINACOL ESTER(1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERAKOS015850767CS-W004791PB23856DS-15886SY032836

Datenbank-Bezeichner

CAS: 1002309-52-5
PubChem CID: 45480194
DTXSID: DTXSID70670234
EC Number: 800-849-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 396

Physikochemische Eigenschaften

Siedepunkt: 287.1 · 287.1±50.0 °C(Predicted)
Dichte: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.03 · 0.03±0.62(Predicted)
Aggregatzustand: solid
Farbe: Beige
InChI: InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h6-8H,1-5H3
InChIKey: IJUNZKOKAXJGRQ-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C1

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.