Phenylboronic acid pinacol ester

HCID 570673CAS 24388-23-6

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2ccccc2)OC1(C)C
InChIKey: KKLCYBZPQDOFQK-UHFFFAOYSA-N
Summenformel: C12H17BO2
Durchschnittliche Molmasse: 204,08 g/mol
Monoisotopische Masse: 204,1321599

Namen und Bezeichner

Bevorzugter Name: Phenylboronic acid pinacol ester
IUPAC: 4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
Englischer Name: (4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENE
Summenformel: C12H17BO2
Molmasse: 204.07

Namen und Synonyme

Phenylboronic acid pinacol esterRefChem:861718629-233-124388-23-64,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenephenylboronic acid, pinacol esterMFCD00966985benzeneboronic acid, pinacol ester2-Phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolanephenylboronic pinacol esterSCHEMBL90476

Weitere Namen anzeigen

Phenylboronic acid pinacol ester 97%2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 2-Phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneM7121PhenylpinacolboranePinaryl phenylboronic acidPHENYL-BORONIC ACID PINACOL ESTER

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-phenyl-OSM-S-460AKOS0159511244,4,5,5-tetramethyl-1,3,2-dioxaborolylbenzeneSY246300Pinacolborane Impurity 4(PINACOLBORYL)BENZENEPINACOL PHENYLBORONATE

Datenbank-Bezeichner

CAS: 24388-23-6
PubChem CID: 570673
DTXSID: DTXSID50341152
EC Number: 629-233-1
Nikkaji: J700.119C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 216

Physikochemische Eigenschaften

Schmelzpunkt: 27 · 27-31 °C(lit.)
Siedepunkt: 130 °C/20mmHg · 130°C/20mmHg(lit.)
Dichte: 0.99 · 0.99±0.1 g/cm3(Predicted)
Flammpunkt: 225 °F · 225 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to lump
Farbe: White to Almost white
InChI: 1S/C12H17BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey: KKLCYBZPQDOFQK-UHFFFAOYSA-N
SMILES: CC1(C)OB(OC1(C)C)c2ccccc2
CAS Datenbank: 24388 · 24388-23-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.