Ethyl-4-methyloxazol-5-carboxylat

Ethyl 4-methyloxazole-5-carboxylate

HCID 88558CAS 20485-39-6

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Grundinformationen

Standard-SMILES: CCOC(=O)c1ocnc1C
InChIKey: XNMORZSEENWFLI-UHFFFAOYSA-N
Summenformel: C7H9NO3
Durchschnittliche Molmasse: 155,15 g/mol
Monoisotopische Masse: 155,05824315

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-methyloxazole-5-carboxylate
IUPAC: ethyl 4-methyl-1,3-oxazole-5-carboxylate
Lokaler Name: Ethyl-4-methyloxazol-5-carboxylat
Englischer Name: Ethyl 4-methyl-1,3-oxazole-5-carboxylate
Summenformel: C7H9NO3
Molmasse: 155.15

Namen und Synonyme

Ethyl 4-methyloxazole-5-carboxylate20485-39-65-Oxazolecarboxylic acid, 4-methyl-, ethyl ester4-Methyl-oxazole-5-carboxylic acid ethyl esterIKW37IL2S5EINECS 243-848-9EC 243-848-9DTXSID40174451RefChem:595474DTXCID4096942243-848-9Ethyl 4-methyl-1,3-oxazole-5-carboxylate

Weitere Namen anzeigen

4-methyl-1,3-oxazole-5-carboxylate5-(Ethoxycarbonyl)-4-methyl-1,3-oxazoleEthyl 4-Methyloxazole-5-carboxylate, 97+%

ethyl4-methyloxazole-5-carboxylate4-methyloxazole-5-carboxylic acid ethyl esterMFCD00062573UNII-IKW37IL2S54-methyl-5-oxazolecarboxylic acid ethyl ester5-Ethoxycarbonyl-4-methyloxazole4-Methyl-oxazole-5-carbox4-methyl-5-carbethoxyoxazole

Datenbank-Bezeichner

CAS: 20485-39-6
PubChem CID: 88558
DTXSID: DTXSID40174451
UNII: IKW37IL2S5
EC Number: 243-848-9
Nikkaji: J280.605C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 38 °C · 38 °C
Siedepunkt: 62 °C/1.5mmHg · 62°C/1.5mmHg(lit.)
Dichte: 1.139 · 1.139±0.06 g/cm3(Predicted)
Brechungsindex: 1.468 to · 1.4680 to 1.4720
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: -0.8 · -0.80±0.14(Predicted)
Farbe: Colorless to Light orange to Yellow
CAS Datenbank: 20485 · 20485-39-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 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.