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HCID 45785708Erstellt: 25. Oktober 2026

2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE · 2-(trifluoroMethyl)-4-(4 · 2-trifluoromethylpyridine-4-borate acid · 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINAC · 2-Trifluoromethyl-4-pyridineboronic acid pinacol ester · 2- trifluoromethylpyridine -4- boric acid pinacol ester · 2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester · 2-(trifluoromethyl)pyridin-4-ylboronic acid pinacol ester

https://huagongshe.com/de/chemical/45785708

Molekülstruktur von 2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester

Identifikatoren & physikalische Daten

CAS No.1036990-42-7
SummenformelC12H15BF3NO2
Durchschnittliche Molmasse273,06 g/mol
Monoisotopische Masse273,11479378 g/mol
SMILESCC1(C)OB(c2ccnc(C(F)(F)F)c2)OC1(C)C
InChIKeyCUQOVOZIDNPNHO-UHFFFAOYSA-N
PubChem CID45785708
EC No.695-959-0
DTXSIDDTXSID60671295

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)31,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren6
Frei drehbare Bindungen1
Schwere Atome19
Formalladung0
Komplexität330
Siedepunkt305.0±42.0 °C(Predicted)
Dichte1.18
LagerbedingungenInert atmosphere,Store in freezer, under -20°C
pKa (Säurekonstante)-0.29±0.22(Predicted)
Aggregatzustandpowder
FarbeWhite
InChIInChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-17-9(7-8)12(14,15)16/h5-7H,1-4H3
InChIKeyCUQOVOZIDNPNHO-UHFFFAOYSA-N
SMILESC1(C(F)(F)F)=NC=CC(B2OC(C)(C)C(C)(C)O2)=C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
UN-TransportnummerUN2811
Zollcode2933399990
R-Sätze (R)25
GefahrensymboleT
Sicherheitshinweise (S)45