4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
Grundinformationen
- CAS
850568-25-1- Standard-SMILES
O=C(Nc1ccccn1)c1ccc(B(O)O)cc1- InChIKey
LEAZDTWQWNXKJM-UHFFFAOYSA-N- Summenformel
- C12H11BN2O3
- Durchschnittliche Molmasse
- 242,04 g/mol
- Monoisotopische Masse
- 242,0862724
Namen und Bezeichner
- Bevorzugter Name
- 4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
- IUPAC
- [4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
- Englischer Name
- 4-(Pyridin-2-yl)aminocarbonylphenylboronic acid
- Summenformel
- C12H11BN2O3
- Molmasse
- 242.04
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
850568-25-1- PubChem CID
- 44119539
- DTXSID
DTXSID00657275- UNII
- PCV3W6S8FG
- EC Number
- 689-936-4
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 82,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 280
Physikochemische Eigenschaften
- Schmelzpunkt
- 124 · 124-128
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.1 · 8.10±0.16(Predicted)
- InChI
- InChI=1S/C12H11BN2O3/c16-12(15-11-3-1-2-8-14-11)9-4-6-10(7-5-9)13(17)18/h1-8,17-18H,(H,14,15,16)
- InChIKey
- LEAZDTWQWNXKJM-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C(NC2=NC=CC=C2)=O)C=C1)(O)O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
Warning
H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.;There are 2 notifications provided by 6 of 7 reports by companies with hazard statement code(s).;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
Sicherheitsdaten
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
Chemie und Industrie
Anwendungen
Verwenden4-(Pyridin-2-yl)aminocarbonylphenylboronic acid is a useful research chemical.
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