Ethyl 3-methyl-1,2-oxazole-4-carboxylate

HCID 317668CAS 20328-15-8

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Grundinformationen

Standard-SMILES: CCOC(=O)c1conc1C
InChIKey: AEWHICNMVQOWJE-UHFFFAOYSA-N
Summenformel: C7H9NO3
Durchschnittliche Molmasse: 155,15 g/mol
Monoisotopische Masse: 155,05824315

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-methyl-1,2-oxazole-4-carboxylate
IUPAC: ethyl 3-methyl-1,2-oxazole-4-carboxylate
Englischer Name: Ethyl 3-methylisoxazole-4-carboxylate
Summenformel: C7H9NO3
Molmasse: 155.15

Namen und Synonyme

ethyl 3-methyl-1,2-oxazole-4-carboxylateDTXSID10312161RefChem:595009DTXCID10263285991-905-820328-15-8ethyl 3-methylisoxazole-4-carboxylateETHYL 3-METHYL-ISOXAZOLE-4-CARBOXYLATE4-Isoxazolecarboxylic acid, 3-methyl-, ethyl esterMFCD010757363-METHYLISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTERETHYL3-METHYLISOXAZOLE-4-CARBOXYLATE

Weitere Namen anzeigen

Leflunomide Impurity 93-methyl-4-isoxazolecarboxylic acid ethyl ester4-Isoxazolecarboxylicacid,3-methyl-,ethylester(8CI,9CI)Ethyl 3-methylisoxazole-4-carboxylateQ: What is Ethyl 3-methylisoxazole-4-carboxylate Q: What is the CAS Number of Ethyl 3-methylisoxazole-4-carboxylate Q: What is the storage condition of Ethyl 3-methylisoxazole-4-carboxylate Q: What are the applications of Ethyl 3-methylisoxazole-4-carboxylate

NSC-250960NSC2509607VJ8CD6HCHSCHEMBL1639502SCHEMBL5410864AEWHICNMVQOWJE-UHFFFAOYSA-Nethyl 3-methyl-4-isoxazolecarboxylateAKOS005207241

Datenbank-Bezeichner

CAS: 20328-15-8
PubChem CID: 317668
DTXSID: DTXSID10312161
UNII: 7VJ8CD6HCH
EC Number: 991-905-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
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

Siedepunkt: 64 °C · 64°C 0,6mm
Dichte: 1.139 · 1.139±0.06 g/cm3(Predicted)
Brechungsindex: 1.459 · 1.4590
Flammpunkt: 64 °C/0.6mm · 64°C/0.6mm
storage temp.: 2 · 2-8°C
pka: -3.24 · -3.24±0.50(Predicted)
BRN: 1072756 · 1072756

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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: 2934999090
safety_code: 24/25

Chemie und Industrie

Anwendungen

Verwenden3-Methylisoxazole-4-carboxylic Acid Ethyl Ester is an impurity in Leflunomide (L322750); an immunosuppressive that inhibits T and B cell proliferation.