3-Pyridinylboronic acid
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Grundinformationen
- CAS
1692-25-7- 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 StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 53,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 89
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
- pka
- 4 · 4.00±0.10(Predicted)
- Farbe
- White to yellow-orange
- BRN
- 471943 · 471943
- InChI
- InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
- InChIKey
- ABMYEXAYWZJVOV-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1B(O)O
- CAS Datenbank
- 1692 · 1692-25-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- hazard_class
- IRRITANT, KEEP COLD
Chemie und Industrie
Anwendungen
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
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