2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
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Grundinformationen
- CAS
28705-46-6- Standard-SMILES
CCOC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O- InChIKey
MSOLGAJLRIINNF-UHFFFAOYSA-N- Summenformel
- C16H19NO4
- Durchschnittliche Molmasse
- 289,33 g/mol
- Monoisotopische Masse
- 289,13140809
Namen und Bezeichner
- Bevorzugter Name
- 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
- IUPAC
- ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
- Englischer Name
- 7-(Diethylamino)coumarin-3-carboxylic acid ethyl ester
- Summenformel
- C16H19NO4
- Molmasse
- 289.33
Namen und Synonyme
28705-46-6ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl esterEthyl 7-diethylaminocoumarin-3-carboxylateDTXSID2067406RefChem:484167DTXCID6037857419-180-0640-407-6Ethyl 7-(Diethylamino)coumarin-3-carboxylateethyl 7-(diethylamino)-2-oxochromene-3-carboxylateMFCD00227484
Weitere Namen anzeigen
S0679hMAO-B-IN-32RARECHEM AB KA K019Ethyl7-(Diethylamino)coumarin-3-carboxylate>ETHYL 7-DIETHYLAMINO-COUMARIN-3-CARBOXYLATE: 98.5%7- (Diethylamino) -2-oxo-2H-phenylmethyl-3-carboxylate ethyl ester7-Diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
CHEMBL2566997-(Diethylamino)coumarin-3-carboxylic Acid Ethyl EsterEthyl7-(Diethylamino)coumarin-3-carboxylateOprea1_201894orb1944608orb2900425SCHEMBL1772718BDBM50353733
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 55,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 428
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 °C · 86 °C
- Siedepunkt
- 455.6 · 455.6±45.0 °C(Predicted)
- Dichte
- 1.204 · 1.204
- Flammpunkt
- 229.3 ℃ · 229.3℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 2.83 · 2.83±0.20(Predicted)
- Farbe
- Light yellow to Amber to Dark green
- InChI
- InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
- InChIKey
- MSOLGAJLRIINNF-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=CC(N(CC)CC)=CC=C2C=C1C(OCC)=O
- EPA chemische Informationen
- 2 H-1-Benzopyran-3-carboxylic · 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester (28705-46-6)
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 4.2% (1 of 24) of reports.
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (95.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (95.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 3 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 24 reports by companies.；There are 2 notifications provided by 23 of 24 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
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9895
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)
Acute Tox. 4 (95.8%)；Skin Sens. 1 (95.8%)；Eye Irrit. 2 (95.8%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9895
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester: ACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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