Ethyl-5-methylisoxazol-3-carboxylat

AKOS PAO-1390 · VITAS-BB TBB000645 · 3-Ethoxycarbonyl-5-methylisoxazole · ETHYL 5-METHYLISOXAZOLE-3-CARBOXYLATE · ethyl 5-Methyl-3-isoxazolecarboxylate · 5-methylisoxazole-3-carboxylate ethyl · ethyl 5-Methyl-1,2-oxazole-3-carboxylate · Ethyl 5-methylisoxazole-3-carboxylate 95%

https://huagongshe.com/de/chemical/76677

Molekülstruktur von Ethyl-5-methylisoxazol-3-carboxylat

Identifikatoren & physikalische Daten

CAS No.	3209-72-1
Summenformel	C7H9NO3
Durchschnittliche Molmasse	155,15 g/mol
Monoisotopische Masse	155,05824315 g/mol
SMILES	CCOC(=O)c1cc(C)on1
InChIKey	OCCIGHIQVMLYBZ-UHFFFAOYSA-N
PubChem CID	76677
EC No.	221-720-3
DTXSID	DTXSID60185887
Lokaler Name	Ethyl-5-methylisoxazol-3-carboxylat

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	52,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	11
Formalladung	0
Komplexität	149
Schmelzpunkt	27-31 °C
Siedepunkt	77-79°C 0,5mm
Dichte	1.139
Flammpunkt	77-79°C/0.5mm
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	-5.08±0.50(Predicted)
Löslichkeit	It is insoluble in water.
InChI	InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3
InChIKey	OCCIGHIQVMLYBZ-UHFFFAOYSA-N
SMILES	O1C(C)=CC(C(OCC)=O)=N1
CAS Datenbank	3209-72-1(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29349990
Sicherheitshinweise (S)	24/25
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Ethyl 5-methylisoxazole-3-carboxylate, It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.