(2-Methoxypyridin-4-yl)boronic acid

HCID 23546919

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Grundinformationen

CAS: 762262-09-9
Standard-SMILES: COc1cc(B(O)O)ccn1
InChIKey: DHQMUJSACXTPEA-UHFFFAOYSA-N
Summenformel: C6H8BNO3
Durchschnittliche Molmasse: 152,95 g/mol
Monoisotopische Masse: 153,05972352

Namen und Bezeichner

Bevorzugter Name: (2-Methoxypyridin-4-yl)boronic acid
IUPAC: (2-methoxy-4-pyridinyl)boronic acid
Englischer Name: 2-Methoxypyridne-4-boronic acid
Summenformel: C6H8BNO3
Molmasse: 152.94

Namen und Synonyme

762262-09-9(2-methoxypyridin-4-yl)boronic acid[2-Methoxypyridin-4-yl]boronic acidDTXSID10634895RefChem:206135DTXCID20585647640-221-52-methoxypyridine-4-boronic acid2-Methoxypyridne-4-Boronic Acid2-METHOXY-4-PYRIDINEBORONIC ACIDMFCD07368877(2-METHOXY-4-PYRIDYL)BORONIC ACID

Weitere Namen anzeigen

2-Methoxypyridin-4-boronic acid4-Borono-2-methoxypyridine2-Methoxypridine-4-boronic acid2-Methoxy-4-pyridylboronic Acid2-METHOXY-4-PYRIDINYLBORONIC ACID(2-Methoxypyridin-4-yl)boronicaci

BORONIC ACID, (2-METHOXY-4-PYRIDINYL)-AKOS005256435AB32134GS-5847[2-(methyloxy)-4-pyridinyl]boronic acidZ12016240642-methoxypyridin-4-ylboronic acidAM20061670

Datenbank-Bezeichner

CAS: 762262-09-9
PubChem CID: 23546919
DTXSID: DTXSID10634895
UNII: WEL42KFW2Y
EC Number: 640-221-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 62,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Siedepunkt: 325.7 · 325.7±52.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: powder to crystal
pka: 7.11 · 7.11±0.10(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C6H8BNO3/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4,9-10H,1H3
InChIKey: DHQMUJSACXTPEA-UHFFFAOYSA-N
SMILES: B(C1C=CN=C(OC)C=1)(O)O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (40%)

Sicherheitsdaten

hs_code: 29339900
risk_code: 37/38-41-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-39-36

Chemie und Industrie

Anwendungen

Verwenden2-Methoxypyridine-4-boronic Acid is a coupling reagent used in the synthesis of effacacious pyrrolopyridazines used as JAK1/3 inhibitors.