2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester
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Grundinformationen
- CAS
957065-99-5- Standard-SMILES
COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
IXKFGVRURWXXKX-UHFFFAOYSA-N- Summenformel
- C13H18BNO4
- Durchschnittliche Molmasse
- 263,1 g/mol
- Monoisotopische Masse
- 263,1328882
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester
- IUPAC
- methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
- Englischer Name
- Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
- Summenformel
- C13H18BNO4
- Molmasse
- 263.1
Namen und Synonyme
2-Methoxycarbonyl-5-pyridineboronic acid, pinacol esterRefChem:474574800-407-0957065-99-5Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(Methylcarboxy)pyridine-5-boronic acid pinacol ester6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol estermethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylatemethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylateMFCD08063051Methyl pyridine-5-boronic acid pinacol ester-2-carboxylate(6-(METHOXYCARBONYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
Weitere Namen anzeigen
methyl 5-(4,4,5,5-tetrame2-(Methylcarboxy)pyridine-5-boronic2-Methoxycarbonyl-5-pyridineboronic acid2-Methoxycarbonylpyridine-5-boronic acid ester2-(Methylcarboxy)pyridine-6-boronic acid pinacol estermethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
6-Methoxycarbonylpyridine-3-boronic acid pinacol esterSCHEMBL10835872-(Methoxycarbonyl)pyridine-5-boronic acid pinacol esterSCHEMBL30135556DTXSID60674322IXKFGVRURWXXKX-UHFFFAOYSA-NMethyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate2-(METHYLCARBOXY)PYRIDINE...
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 57,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 343
Physikochemische Eigenschaften
- Siedepunkt
- 383.9 · 383.9±27.0 °C(Predicted)
- Dichte
- 1.12 · 1.12
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.68 · 1.68±0.12(Predicted)
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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 4 reports by companies from 3 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
Chemie und Industrie
Anbieter100 Anbieter
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