Grundinformationen
- Standard-SMILES
O=c1c(Br)cc(-c2ccccn2)cn1-c1ccccc1- InChIKey
GSESXDVCGLBTLD-UHFFFAOYSA-N- Summenformel
- C16H11BrN2O
- Durchschnittliche Molmasse
- 327,17 g/mol
- Monoisotopische Masse
- 326,00548
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one
- IUPAC
- 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
- Englischer Name
- 5'-broMo-1'-phenyl-[2,3'-bipyridin]-6'(1'H)-one
- Summenformel
- C16H11BrN2O
- Molmasse
- 327.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
381248-06-2- PubChem CID
- 22319065
- DTXSID
DTXSID90624698- UNII
- AX2T252GNE
- EC Number
- 800-315-0
- Nikkaji
- J2.403.721E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 33,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 438
Physikochemische Eigenschaften
- Schmelzpunkt
- 79 · 79-81°C
- Siedepunkt
- 461.7 · 461.7±45.0 °C(Predicted)
- Dichte
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.73 · 4.73±0.19(Predicted)
- Farbe
- Light Brown to Brown
- Stabilität
- Light Sensitive
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.;There is 1 notification provided by 1 of 3 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
Regulatorische Informationen
Sicherheitsdaten
- hs_code
- 2933399990
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