2-Methylpyridine-5-boronic acid

HCID 2763081

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Grundinformationen

CAS: 659742-21-9
Standard-SMILES: Cc1ccc(B(O)O)cn1
InChIKey: MZUSCPDSQJSBSY-UHFFFAOYSA-N
Summenformel: C6H8BNO2
Durchschnittliche Molmasse: 136,95 g/mol
Monoisotopische Masse: 137,0648089

Namen und Bezeichner

Bevorzugter Name: 2-Methylpyridine-5-boronic acid
IUPAC: (6-methyl-3-pyridinyl)boronic acid
Englischer Name: 6-Methylpyridine-3-boronic Acid
Summenformel: C6H8BNO2
Molmasse: 136.94

Namen und Synonyme

2-METHYLPYRIDINE-5-BORONIC ACIDRefChem:476240689-887-9659742-21-9(6-methylpyridin-3-yl)boronic Acid6-Methylpyridine-3-boronic acid2-Picoline-5-boronic acid2-Methyl-5-pyridinylboronic acid6-Methylpyridin-3-ylboronic acidMFCD06801736(6-methyl-3-pyridyl)boronic acid(6-methyl-3-pyridinyl)boronic acid

Weitere Namen anzeigen

2-Methyl-5-boronic acid2-Picoline-5-boronicaci2-picolin-5-boronic acid2-Methyl-5-pyridine acid6-Methylpyridine-3-Boronic2-methyl-5-pydineboronic acid2-METHYL-5-PYRIDINEBORONIC ACID

Boronic acid, (6-methyl-3-pyridinyl)-SCHEMBL1165846-methyl-3-pyridineboronic acid(6-methylpyridin-3-yl)-boronic acidAC-6166NCGC00249570-01AS-18717BCP03648

Datenbank-Bezeichner

CAS: 659742-21-9
PubChem CID: 2763081
DTXSID: DTXSID00984457
EC Number: 689-887-9

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

Schmelzpunkt: 128 · 128-130°C
Siedepunkt: 294.7 · 294.7±42.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
pka: 4.27 · 4.27±0.10(Predicted)
Farbe: White to pale brown
Stabilität: Hygroscopic
InChI: 1S/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
InChIKey: MZUSCPDSQJSBSY-UHFFFAOYSA-N
SMILES: Cc1ccc(cn1)B(O)O
CAS Datenbank: 659742 · 659742-21-9(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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden6-Methylpyridine-3-boronic Acid is used in the preparation of various biologically active compound such as phosphoinositide-3-kinases (PI3K) and c-jun N-terminal kinase (JNK) inhibitors.