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

HCID 16414272

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Grundinformationen

CAS: 610768-32-6
Standard-SMILES: Cc1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey: JEECGGXGHJUYMN-UHFFFAOYSA-N
Summenformel: C12H18BNO2
Durchschnittliche Molmasse: 219,09 g/mol
Monoisotopische Masse: 219,14305922

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC: 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Englischer Name: 2-Picoline-5-boronic acid pinacolate
Summenformel: C12H18BNO2
Molmasse: 219.09

Namen und Synonyme

610768-32-62-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID30585996RefChem:263494DTXCID30536761804-761-72-Methylpyridine-5-boronic acid pinacol ester2-PICOLINE-5-BORONIC ACID PINACOL ESTER2-Picoline-5-boronic acid pinacolate2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD086696086-Methylpyridine-3-boronic acid pinacol ester

Weitere Namen anzeigen

2-Methylpyridine-5-boroni...Pyridine, 2-methyl-5-(4,4,5,5-te6-Methyl-3-pyridylboronic Acid Pinacol Ester2-Methyl-5-pyridineboronic acid pinacol ester2-Picoline-5-boronic acid pinacol ester - [P3235]

SCHEMBL421122-Methylpyridine-5-boronic acid, pinacol esterEN300-2226382-picoline-5-boronic acid pinacol ester, AldrichCPRPyridine, 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-A25374(6-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTERSCHEMBL31219310

Datenbank-Bezeichner

CAS: 610768-32-6
PubChem CID: 16414272
DTXSID: DTXSID30585996
EC Number: 804-761-7
Nikkaji: J3.649.379H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 31,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 252

Physikochemische Eigenschaften

Schmelzpunkt: 26 °C · 26 °C
Siedepunkt: 306.5 · 306.5±30.0 °C(Predicted)
Dichte: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to lump
pka: 5.94 · 5.94±0.12(Predicted)
Farbe: White to Light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.