(2,6-Difluoropyridin-3-yl)boronic acid

HCID 2762713

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Grundinformationen

CAS: 136466-94-9
Standard-SMILES: OB(O)c1ccc(F)nc1F
InChIKey: LCCZTROJRJFXNV-UHFFFAOYSA-N
Summenformel: C5H4BF2NO2
Durchschnittliche Molmasse: 158,9 g/mol
Monoisotopische Masse: 159,0303149

Namen und Bezeichner

Bevorzugter Name: (2,6-Difluoropyridin-3-yl)boronic acid
IUPAC: (2,6-difluoro-3-pyridinyl)boronic acid
Englischer Name: 2,6-Difluoropyridine-3-boronic acid
Summenformel: C5H4BF2NO2
Molmasse: 158.9

Namen und Synonyme

(2,6-difluoropyridin-3-yl)boronic AcidRefChem:394696681-155-72,6-Difluoropyridine-3-boronic acid136466-94-92,6-Difluoro-3-pyridylboronic acid2,6-Difluoro-3-pyridineboronic AcidMFCD03788245(2,6-difluoro-3-pyridyl)boronic acid(2,6-difluoro-3-pyridinyl)boronic acid2,6-difluoropyridin-3-yl-3-boronic acidBORONIC ACID, B-(2,6-DIFLUORO-3-PYRIDINYL)-

Weitere Namen anzeigen

uoropyridine-3-boronic acid3-Borono-2,6-difluoropyridine2,6-DIFLUOROPYRIDINE-3-BORONIC2,6-Difluoropyridine-3-boronicaci2,6-DIFLUORO-3-PYRIDYL BORONIC ACID(2,6-DIFLUORO-3-PYRIDINYL)-BORONIC ACID6-Chloro-2-fluoropyridine-3-boronic acid

2,6-difluoropyridin-3-ylboronic acid2,6-Difluoro-3-pyridineboronicAcidBORONIC ACID, (2,6-DIFLUORO-3-PYRIDINYL)-SCHEMBL426850DTXSID90376387LCCZTROJRJFXNV-UHFFFAOYSA-N2,6-difluoro-3 pyridylboronic acidSBB052571

Datenbank-Bezeichner

CAS: 136466-94-9
PubChem CID: 2762713
DTXSID: DTXSID90376387
EC Number: 681-155-7
Nikkaji: J2.540.094A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 168 °C · 168 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
Siedepunkt: 314.8 · 314.8±52.0 °C(Predicted)
Dichte: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
pka: 6.77 · 6.77±0.58(Predicted)
Farbe: White to Light yellow
InChIKey: LCCZTROJRJFXNV-UHFFFAOYSA-N
CAS Datenbank: 136466 · 136466-94-9(CAS DataBase Reference)

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 (85.7%): 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)

Aggregated GHS information provided per 7 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

Sicherheitsdaten

hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Difluoropyridine-3-boronic acid is a pyridine analogue containing a fluorine atom reactive group and boronic acid in its structure. It can be used as a reagent for fluorination or substitution reactions and as a synthetic intermediate for the preparation of other organic compounds.