2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol

HCID 21886155CAS 1970977-56-0

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Grundinformationen

Standard-SMILES: CC1(C)OB(c2cccc(C(O)C(F)(F)F)c2)OC1(C)C
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
Summenformel: C14H18BF3O3
Durchschnittliche Molmasse: 302,1 g/mol
Monoisotopische Masse: 302,1301091

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol
IUPAC: 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
Englischer Name: 2,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL
Summenformel: C14H18BF3O3
Molmasse: 302.1

Namen und Synonyme

1970977-56-02,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL3-(2,2,2-Trifluoro-1-hydroxyethyl)phenylboronic acid pinacol ester(3-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PHENYL)BORONIC ACID PINACOL ESTERMFCD187610202,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-ol2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-olSCHEMBL5841426VDD97756AKOS027331659AS-41519

Weitere Namen anzeigen

Benzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-α-(trifluoromethyl)-

SY258445DB-181512CS-0175658F331103(3-(2,2,2-Trifluoro-1-hydroxyethyl)pheny)boronic acid pinacolester2,2,2-Trifluoro-1-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethanolBenzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha-(trifluoromethyl)-

Datenbank-Bezeichner

CAS: 1970977-56-0
PubChem CID: 21886155
EC Number: 170-715-1
Nikkaji: J3.763.915J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 21
Formalladung: 0
Komplexität: 368

Physikochemische Eigenschaften

Siedepunkt: 371 · 371.0±42.0 °C(Predicted)
Dichte: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 11.91 · 11.91±0.10(Predicted)
InChI: InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
SMILES: C(O)(C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C(F)(F)F

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.