Grundinformationen
- Standard-SMILES
COC(=O)CCC(=O)CBr- InChIKey
AUQDWNOSVDUIAT-UHFFFAOYSA-N- Summenformel
- C6H9BrO3
- Durchschnittliche Molmasse
- 209,04 g/mol
- Monoisotopische Masse
- 207,97350625
Namen und Bezeichner
- Bevorzugter Name
- Methyl 5-bromo-4-oxopentanoate
- IUPAC
- methyl 5-bromo-4-oxopentanoate
Namen und Synonyme
methyl 5-bromo-4-oxopentanoateRefChem:816970695-983-153856-93-2MFCD18800850methyl 5-bromolevulinateMethyl 5-bromo-4-oxo-pentanoatePentanoic acid, 5-bromo-4-oxo-, methyl ester5-bromo-4-oxopentanoic acid methyl ester5-bromolevulinic acid methyl ester5-bromo-4-oxo-pentanoic acid methyl ester5-bromolevulinic methyl ester
Weitere Namen anzeigen
methyl5-bromo-4-oxopentanoateorb3176409SCHEMBL1160631DTXSID10431841AUQDWNOSVDUIAT-UHFFFAOYSA-NALBB-027729AKOS0052644255-bromo-4-oxo-valeric acid methylester
Datenbank-Bezeichner
- CAS
53856-93-2- PubChem CID
- 9855825
- DTXSID
DTXSID10431841- EC Number
- 695-983-1
- Nikkaji
- J522.625B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 133
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 5 (50%)
Zugehörige Reaktionen
20
Verknüpfte Notizen
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