1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
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Grundinformationen
- CAS
56617-43-7- Standard-SMILES
O=C(O)C1CC(=O)N(c2ccc(F)cc2)C1- InChIKey
JYYMPQMWOVXMDK-UHFFFAOYSA-N- Summenformel
- C11H10FNO3
- Durchschnittliche Molmasse
- 223,2 g/mol
- Monoisotopische Masse
- 223,06447134
Namen und Bezeichner
- Bevorzugter Name
- 1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Namen und Synonyme
1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acidRefChem:425593675-231-956617-43-71-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acidMFCD015693111-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acidF0919-1630MLS0000627433-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo-4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone
Weitere Namen anzeigen
Oprea1_485102Oprea1_585069SCHEMBL2221436CHEMBL1345646JYYMPQMWOVXMDK-UHFFFAOYSA-NHMS2369J14SMSSF-0062559ALBB-000142
Datenbank-Bezeichner
- CAS
56617-43-7- PubChem CID
- 2912652
- ChEMBL
CHEMBL1345646- EC Number
- 675-231-9
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 300
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+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 4 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%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (100%)
Zugehörige Reaktionen
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