2,3-Dihydro-5-furylboronic acid pinacol ester

HCID 46739754CAS 1046812-02-5

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Grundinformationen

Standard-SMILES: CC1(C)OB(C2=CCCO2)OC1(C)C
InChIKey: QLKFMGAHJYGUES-UHFFFAOYSA-N
Summenformel: C10H17BO3
Durchschnittliche Molmasse: 196,05 g/mol
Monoisotopische Masse: 196,1270746

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydro-5-furylboronic acid pinacol ester
IUPAC: 2-(2,3-dihydrofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Englischer Name: 4,5-Dihydro-5-furylboronic acid pinacol ester, 2-(4,5-Dihydrofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Summenformel: C10H17BO3
Molmasse: 196.05

Namen und Synonyme

2,3-Dihydro-5-furylboronic acid pinacol esterRefChem:442349960-805-61046812-02-52-(4,5-Dihydrofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMFCD116560652-(2,3-dihydrofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDihydro-5-furylboronic acid pinacol esterSCHEMBL2013150DTXSID60675339QLKFMGAHJYGUES-UHFFFAOYSA-NAKOS015999416

Weitere Namen anzeigen

2-(4,5-Dihydrofuran-2-yl)4,5-Dihydrofuran-2-boronic Acid Pinacol Ester4,5-Dihydro-5-furylboronic acid pinacol ester2,3-Dihydro-5-furylboronic acid pinacol ester 97%1,3,2-Dioxaborolane, 2-(4,5-dihydro-2-furanyl)-4,4,5,5-tetramethyl-4,5-Dihydro-5-furylboronic acid pinacol ester, 2-(4,5-Dihydrofuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

AB64488AS-71992DA-15982FD159854SY046959CS-01008142,3-Dihydro-5-furanoboronic acid pinacol esterC90132

Datenbank-Bezeichner

CAS: 1046812-02-5
PubChem CID: 46739754
DTXSID: DTXSID60675339
EC Number: 960-805-6
Nikkaji: J2.588.635F

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 27,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Siedepunkt: 218.8 · 218.8±50.0 °C(Predicted)
Dichte: 1.018 g/mL · 1.018 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.467
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Stabilität: Moisture Sensitive
InChI: 1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h6H,5,7H2,1-4H3
InChIKey: QLKFMGAHJYGUES-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)C2=CCCO2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.