1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Grundinformationen
- CAS
4332-79-0- Standard-SMILES
O=C(O)c1ccc(=O)n(Cc2ccccc2)c1- InChIKey
LDTBMEOGSQFGDK-UHFFFAOYSA-N- Summenformel
- C13H11NO3
- Durchschnittliche Molmasse
- 229,23 g/mol
- Monoisotopische Masse
- 229,07389321
Namen und Bezeichner
- Bevorzugter Name
- 1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 1-benzyl-6-oxopyridine-3-carboxylic acid
- Englischer Name
- 1-Benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
- Summenformel
- C13H11NO3
- Molmasse
- 229.23
Namen und Synonyme
4332-79-01-Benzyl-6-Oxo-1,6-Dihydropyridine-3-Carboxylic AcidDTXSID20377367RefChem:228139DTXCID803283951-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid1-benzyl-6-oxopyridine-3-carboxylic acidMFCD001018013-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-(phenylmethyl)-F2143-00011-benzyl-6-oxo-pyridine-3-carboxylic AcidOprea1_560373
Weitere Namen anzeigen
1-Benzyl-6-oxo-1,6-dihydropyridine-3-carboxylicAcidSCHEMBL1617368LDTBMEOGSQFGDK-UHFFFAOYSA-NSMSSF-0045276EAA33279AC1296SBB097433IFLAB-BB F2143-0001
Datenbank-Bezeichner
- CAS
4332-79-0- PubChem CID
- 2764224
- DTXSID
DTXSID20377367- EC Number
- 981-469-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 378
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 · 205-207°C
- Siedepunkt
- 443.3 · 443.3±45.0 °C(Predicted)
- Dichte
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.83 · 3.83±0.50(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933399990
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
Chemie und Industrie
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