3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester

HCID 11218053

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Grundinformationen

CAS: 287944-16-5
Standard-SMILES: CC1(C)OB(C2=CCOCC2)OC1(C)C
InChIKey: DOSGEBYQRMBTGS-UHFFFAOYSA-N
Summenformel: C11H19BO3
Durchschnittliche Molmasse: 210,08 g/mol
Monoisotopische Masse: 210,14272487

Namen und Bezeichner

Bevorzugter Name: 3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester
IUPAC: 2-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester
Summenformel: C11H19BO3
Molmasse: 210.08

Namen und Synonyme

3,6-Dihydro-2H-pyran-4-boronic acid pinacol esterRefChem:487565683-692-2287944-16-52-(3,6-dihydro-2H-pyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3,6-Dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyranMFCD110526314-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRANPB10870SY011822(3,6-DIHYDRO-2H-PYRAN-4-YL)BORONIC ACID PINACOL ESTER3,6-dihydro-2 h-pyran-4-boronic acid pinacol ester

Weitere Namen anzeigen

3,6-Dihydro-2H-pyran-4-bo...3,6-Dihydropyran-4-borate ester3,6-Dihydro-2H-pyran-4-boronic acid pinacoL3,6-Dihydropyran-4-boronic acid pinacol ester3,6-Dihydro-2H-pyran-4-boronic acid picol ester3,6-Dihydro-2H-pyran-4-ylboronic acid pinacol ester3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester 97%

5H-pyran-4-yl-(4,4,5,5 tetramethyl)-1,3,2 dioxaborolane4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyranSTRONTIUMACETATEHEMIHYDRATEAM808044BC0003132H-PYRAN, 3,6-DIHYDRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-SCHEMBL679263,6-Dihydro-2H-pyran-4-boronic acid, pinacol ester

Datenbank-Bezeichner

CAS: 287944-16-5
PubChem CID: 11218053
DTXSID: DTXSID50459069
ChEMBL: CHEMBL3942505
EC Number: 683-692-2
Nikkaji: J1.414.672E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 268

Physikochemische Eigenschaften

Schmelzpunkt: 63 · 63-67℃
Siedepunkt: 238.6 · 238.6±50.0 °C(Predicted)
Dichte: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
Farbe: White to off-white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5H,6-8H2,1-4H3
InChIKey: DOSGEBYQRMBTGS-UHFFFAOYSA-N
SMILES: C1OCC=C(B2OC(C)(C)C(C)(C)O2)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.