2-Methylpyridine-4-boronic acid

HCID 4192664CAS 579476-63-4

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Grundinformationen

Standard-SMILES: Cc1cc(B(O)O)ccn1
InChIKey: UFYBTLOLWSABAU-UHFFFAOYSA-N
Summenformel: C6H8BNO2
Durchschnittliche Molmasse: 136,95 g/mol
Monoisotopische Masse: 137,0648089

Namen und Bezeichner

Bevorzugter Name: 2-Methylpyridine-4-boronic acid
IUPAC: (2-methyl-4-pyridinyl)boronic acid
Englischer Name: 2-Methylpyridine-4-boronic acid
Summenformel: C6H8BNO2
Molmasse: 136.94

Namen und Synonyme

2-Methylpyridine-4-boronic acid579476-63-4DTXSID00400622RefChem:263979DTXCID50351478640-238-8(2-methylpyridin-4-yl)boronic Acid2-Picoline-4-boronic acid2-methylpyridin-4-ylboronic acidMFCD030953642-Methylpyridine-4-boronicacid(2-Methyl-4-pyridinyl)boronic acid

Weitere Namen anzeigen

4-Borono-2-methylpyridine2-METHYL-4-PYRIDINEBORIC ACID2-Methylpyridine-4-boronicaci2-METHYL-4-PYRIDINYLBORONIC ACID(2-Methylpyridine-4-yl)boronic acid

(2-Methyl-4-pyridinyl)-boronic acid2-METHYLPYRIDIN-4-YL-4-BORONIC ACID2-methylpyridin-4-boronic acid2-methyl-4-pyridine boronic acid2-METHYL-4-PYRIDINEBORONIC ACID(2-methyl-4-pyridyl)boronic acidBORONIC ACID, (2-METHYL-4-PYRIDINYL)-SCHEMBL8870

Datenbank-Bezeichner

CAS: 579476-63-4
PubChem CID: 4192664
DTXSID: DTXSID00400622
EC Number: 640-238-8
Nikkaji: J2.808.885J

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Siedepunkt: 311.2 · 311.2±44.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: crystalline powder
pka: 7 · 7+-.0.10(Predicted)
Farbe: Cream
CAS Datenbank: 579476 · 579476-63-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.