2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

HCID 2734622CAS 269409-97-4

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2ccccc2O)OC1(C)C
InChIKey: VLROJECCXBBKPZ-UHFFFAOYSA-N
Summenformel: C12H17BO3
Durchschnittliche Molmasse: 220,07 g/mol
Monoisotopische Masse: 220,1270748

Namen und Bezeichner

Bevorzugter Name: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Englischer Name: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Summenformel: C12H17BO3
Molmasse: 220.07

Namen und Synonyme

269409-97-42-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID50370402RefChem:251767DTXCID30321437671-854-52-Hydroxyphenylboronic acid pinacol esterMFCD020937542-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenol2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2-(2-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanephenol, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Weitere Namen anzeigen

St5405622522554_Aldrich2-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER2-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER2-Hydroxyphenylboronic acid pinacol ester 98%2-HYDROXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,97%

2-Hydroxybenzeneboronic acid pinacol ester2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol522554_ALDRICH, 2-Hydroxyphenylboronic acid pinacol ester, ST5405622, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 269409-97-4MY22UL2B7N(2-HYDROXYPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL3338692-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenol2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol

Datenbank-Bezeichner

CAS: 269409-97-4
PubChem CID: 2734622
DTXSID: DTXSID50370402
UNII: MY22UL2B7N
EC Number: 671-854-5
Nikkaji: J2.079.576J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 249

Physikochemische Eigenschaften

Siedepunkt: 282 °C · 282 °C(lit.)
Dichte: 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.506(lit.)
Flammpunkt: 230 °F · 230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: liquid
pka: 10.17 · 10.17±0.35(Predicted)
Farbe: pale yellow
InChI: 1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
InChIKey: VLROJECCXBBKPZ-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccccc2O
CAS Datenbank: 269409 · 269409-97-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (89.1%): 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 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.