(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

EOS-61124 · Anacetrapib Intermediate 6 · (4-Fluoro-5-isopropyl-2-Methoxyphenyl)boronic ac · 4-fluoro-5-isopropyl-2-methoxyphenylboronic acid · 4-Fluoro-5-isopropyl-2-methoxybenzeneboronic Acid · [4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid · [4-Fluoro-2-methoxy-5-(1-methylethyl)phenyl] boronic acid · B-[4-Fluoro-2-methoxy-5-(1-methylethyl)phenyl]boronic acid

https://huagongshe.com/de/chemical/53363739

Molekülstruktur von (4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid

Identifikatoren & physikalische Daten

CAS No.	875446-29-0
Summenformel	C10H14BFO3
Durchschnittliche Molmasse	212,03 g/mol
Monoisotopische Masse	212,10200293 g/mol
SMILES	COc1cc(F)c(C(C)C)cc1B(O)O
InChIKey	HMRRCUXJGOSJJA-UHFFFAOYSA-N
PubChem CID	53363739
EC No.	810-448-6
DTXSID	DTXSID90693642

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	49,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	15
Formalladung	0
Komplexität	201
Siedepunkt	324.0±52.0 °C(Predicted)
Dichte	1.15±0.1 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
pKa (Säurekonstante)	8.69±0.58(Predicted)
InChI	InChI=1S/C10H14BFO3/c1-6(2)7-4-8(11(13)14)10(15-3)5-9(7)12/h4-6,13-14H,1-3H3
InChIKey	HMRRCUXJGOSJJA-UHFFFAOYSA-N
SMILES	B(C1=CC(C(C)C)=C(F)C=C1OC)(O)O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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 Categories	Skin Irrit. 2 (50%)
Zollcode	2931900090

Anwendungen & Verwendung

Verwenden

(4-Fluoro-5-isopropyl-2-methoxyphenyl)boronic acid