Grundinformationen
- CAS
20571-42-0- Standard-SMILES
CCN(CC)c1ccc2ccc(=O)oc2c1- InChIKey
QXAMGWKESXGGNV-UHFFFAOYSA-N- Summenformel
- C13H15NO2
- Durchschnittliche Molmasse
- 217,26 g/mol
- Monoisotopische Masse
- 217,11027872
Namen und Bezeichner
- Bevorzugter Name
- 7-Diethylaminocoumarin
- IUPAC
- 7-(diethylamino)chromen-2-one
- Lokaler Name
- 7-(Diethylamino)-2-benzopyron
- Englischer Name
- 7-Diethylaminocoumarin
- Summenformel
- C13H15NO2
- Molmasse
- 217.26
Namen und Synonyme
20571-42-07-Diethylaminocoumarin2H-1-Benzopyran-2-one, 7-(diethylamino)-7-(diethylamino)chromen-2-oneCoumarin 4667-(Diethylamino)-2H-1-benzopyran-2-oneCoumarine, 7-diethylamino-EINECS 243-888-7Coumarin, 7-diethylamino-DTXSID9066627RefChem:1060407(Diethylamino)2benzopyrone
Weitere Namen anzeigen
C 1HS2142Coumarin 110coumarin 446Coumarine 4667-NEt2-coumarinDiethylaminocoumarin
DTXCID00363487(Diethylamino)2H1benzopyran2one2H1Benzopyran2one, 7(diethylamino)QXAMGWKESXGGNV-UHFFFAOYSA-N7-(Diethylamino)coumarin7-(Diethylamino)-2H-chromen-2-oneMFCD00232946CHEMBL1430816
Datenbank-Bezeichner
- CAS
20571-42-0- PubChem CID
- 88598
- DTXSID
DTXSID9066627- ChEMBL
CHEMBL1430816- ChEBI
CHEBI:120776- UNII
- 8NX73KU7CZ
- EC Number
- 243-888-7
- Nikkaji
- J280.622C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 284
Experimentelle und physikochemische Eigenschaften
Physical DescriptionYellow crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 to · 87.0 to 91.0 °C
- Siedepunkt
- 384.2 · 384.2±37.0 °C(Predicted)
- Dichte
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 3.4 · 3.40±0.20(Predicted)
- Farbe
- Light yellow to Yellow to Green
- BRN
- 3609055 · 3609055
- InChIKey
- QXAMGWKESXGGNV-UHFFFAOYSA-N
- EPA chemische Informationen
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 7-(diethylamino)- (20571-42-0)
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 1 of 41 reports by companies.；There is 1 notification provided by 40 of 41 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
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Coumarin.
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2932209090
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26
Chemie und Industrie
Verwendung und Herstellung
UsesCoumarins are used as laser dyes. [Ullmann: Laser Dyes]
General Manufacturing Information2H-1-Benzopyran-2-one, 7-(diethylamino)-: INACTIVE
Anwendungen
VerwendenCoumarin 466 is a useful coumarin derivative suitable for fluorescence
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