6-Hydroxypyridine-3-boronic acid
Grundinformationen
- CAS
903899-13-8- Standard-SMILES
O=c1ccc(B(O)O)c[nH]1- InChIKey
YUOLAYZNDYRBEZ-UHFFFAOYSA-N- Summenformel
- C5H6BNO3
- Durchschnittliche Molmasse
- 138,92 g/mol
- Monoisotopische Masse
- 139,04407345
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxypyridine-3-boronic acid
- IUPAC
- (6-oxo-1H-pyridin-3-yl)boronic acid
- Englischer Name
- 6-Hydroxy-3-pyridineboronic acid
- Summenformel
- C5H6BNO3
- Molmasse
- 138.92
Namen und Synonyme
6-Hydroxypyridine-3-boronic acidRefChem:543444801-028-3903899-13-86-hydroxypyridin-3-ylboronic acid(6-HYDROXYPYRIDIN-3-YL)BORONIC ACID(6-oxo-1H-pyridin-3-yl)boronic acid(6-Oxo-1,6-dihydropyridin-3-yl)boronic acid5-BORONO-2-PYRIDONEMFCD09907979(6-hydroxy-3-pyridyl)boronic acid2-Hydroxypyridine-5-boronic acid
Weitere Namen anzeigen
6-Hydroxy-3-pyridineboronic acid1,6-Dihydro-6-oxopyridine-3-boronic acid(6-oxo-5,6-dihydropyridin-3-yl)boronic acidB-(1,6-dihydro-6-oxo-3-pyridinyl)-Boronic acid(6-Hydroxypyridin-3-yl)boronic acid - [H26341]
SCHEMBL116879SCHEMBL519749orb1694535SCHEMBL35428229DTXSID30674415YUOLAYZNDYRBEZ-UHFFFAOYSA-N6-hydroxy-3-pyridine boronic acid(6-Hydroxypyridin-3-yl)boronicacid
Datenbank-Bezeichner
- CAS
903899-13-8- PubChem CID
- 46738764
- DTXSID
DTXSID30674415- EC Number
- 801-028-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 69,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 209
Physikochemische Eigenschaften
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:5): 0.16 mg/ml,Ethanol: 1 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 8.02 · 8.02±0.20(Predicted)
- Farbe
- White to off-white
- InChI
- InChI=1S/C5H6BNO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3,9-10H,(H,7,8)
- InChIKey
- YUOLAYZNDYRBEZ-UHFFFAOYSA-N
- SMILES
- B(C1C=CC(=O)NC=1)(O)O
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Sicherheitsdaten
- ridadr
- 2811
- hs_code
- 2933399990
- hazard_class
- 6.1
- packing_group
- Ⅲ
Chemie und Industrie
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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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