Pyridine-2-boronic acid

HCID 2762745CAS 197958-29-5

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Grundinformationen

Standard-SMILES: OB(O)c1ccccn1
InChIKey: UMLDUMMLRZFROX-UHFFFAOYSA-N
Summenformel: C5H6BNO2
Durchschnittliche Molmasse: 122,92 g/mol
Monoisotopische Masse: 123,0491586

Namen und Bezeichner

Bevorzugter Name: Pyridine-2-boronic acid
IUPAC: pyridin-2-ylboronic acid
Englischer Name: 2-Pyridineboronic acid
Summenformel: C5H6BNO2
Molmasse: 122.92

Namen und Synonyme

Pyridine-2-boronic acidRefChem:870726803-283-62-Pyridineboronic acid197958-29-5Pyridin-2-ylboronic Acid2-Pyridinylboronic acid2-pyridylboronic acidBoronic acid, B-2-pyridinyl-(pyridin-2-yl)boronic acidMFCD00151844pyridinylboronic acid

Weitere Namen anzeigen

2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINECAS:197958-29-52-PyridineboronicPyridin-2-bronic Acid2-PYRIDINEBORNIC ACID

2-Pyridinylboronicacidpyridin-2-yl boronic acidpyridin-2-yl-boronic acidAC-956DS-3761SY002440Pyridin-2-boronic Acidpyridylboronic acid

Datenbank-Bezeichner

CAS: 197958-29-5
PubChem CID: 2762745
DTXSID: DTXSID00376414
UNII: 7TM7U3Z8NK
EC Number: 803-283-6
Nikkaji: J1.486.163G

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 53,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 89

Physikochemische Eigenschaften

Schmelzpunkt: 300 · >300
Siedepunkt: 308.8 · 308.8±34.0 °C(Predicted)
Dichte: 1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 7.79 · 7.79±0.53(Predicted)
Aggregatzustand: solid
InChI: InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
InChIKey: UMLDUMMLRZFROX-UHFFFAOYSA-N
SMILES: C1(B(O)O)=NC=CC=C1
CAS Datenbank: 197958 · 197958-29-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 Dam. 1 (97.4%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-41-37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold under -20C
safety_code: 26-36/37/39-39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Pyridineboronic Acid is used in organic synthesis as a reagent in Suzuki cross-coupling reactions, for example in the synthesis of aryl- and heteroaryl-substituted 3-benzyloxyisothiazoles and novel fluorescent 3-aryl- and 3-methyl-7-aryl-[1,2,3]triazolo[1,5-a]pyridines.