3-Pyridinylboronic acid

HCID 2734378CAS 1692-25-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
OB(O)c1cccnc1
InChIKey
ABMYEXAYWZJVOV-UHFFFAOYSA-N
Summenformel
C5H6BNO2
Durchschnittliche Molmasse
122,92 g/mol
Monoisotopische Masse
123,0491586

Namen und Bezeichner

Bevorzugter Name
3-Pyridinylboronic acid
IUPAC
pyridin-3-ylboronic acid
Englischer Name
3-Pyridylboronic acid
Summenformel
C5H6BNO2
Molmasse
122.92

Namen und Synonyme

3-pyridinylboronic acidRefChem:406909Pyridine-3-boronic acid1692-25-7pyridin-3-ylboronic acid3-Pyridylboronic Acid3-Pyridineboronic acid(pyridin-3-yl)boronic acidBoronic acid, B-3-pyridinyl-MFCD00674177(3-pyridinyl)boronic acidpyridine-3-boronicacid
Weitere Namen anzeigen
3-PyridyLDFD3AKOS BRN-0272Pyridine-3-acid3-Boronopyridine
B-3-Pyridinylboronic acidpyridin-3-yl-boronic acid3-Pyridineboronic acid (contains varying amounts of Anhydride)3-pyridineboronicBoronic acid, 3-pyridinyl-pyridin-3-yl-3-boronic acidpyridine 3-boronic acid(3-pyridyl)boronic acid

Datenbank-Bezeichner

CAS
1692-25-7
PubChem CID
2734378
DTXSID
DTXSID30370268
ChEMBL
CHEMBL3236605
UNII
BV5Q59CY4T
EC Number
605-544-8
Nikkaji
J806.559D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
53,4 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
9

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300 °C (lit.)
Siedepunkt
308.8 · 308.8±34.0 °C(Predicted)
Dichte
1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
Slightly soluble in methanol.
Aggregatzustand
Powder, Crystals and/or Chunks

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 12 reports by companies from 8 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 CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (91.7%)；Eye Irrit. 2A (91.7%)；STOT SE 3 (83.3%)

Sicherheitsdaten

wgk
3
hs_code
29349990
risk_code
36/37/38-22-34-11
hazard_code
Xn,Xi,C,F
hazard_note
Irritant
safety_code
36/37/39-3-26-45-16

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Pyridylboronic acid is a reagent used for• ;Phosphine-free Suzuki-Miyaura cross-coupling reactions 1 ;Regioselective Suzuki-Miyaura coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation 2 ;N-arylation using copper acetylacetonate catalyst 3 ;Copper-mediated cyanation and regioselective cyanation of electron-rich benzenes 4 Reagent use in Preparation of • ;New linear poly(phenylpyridyl) chains by Suzuki coupling 5 ;Oligopyridyl foldamers as mimics of a-helix twist 6 ;Many highly significant therapeutic enzymatic and kinase inhibitors and r

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Zugehörige Reaktionen

1.383
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…