Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate

HCID 293750CAS 53135-24-3

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Grundinformationen

Standard-SMILES: CCOC(=O)c1cnc(C)[nH]c1=O
InChIKey: KTZQDIINDVWLES-UHFFFAOYSA-N
Summenformel: C8H10N2O3
Durchschnittliche Molmasse: 182,18 g/mol
Monoisotopische Masse: 182,06914218

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
IUPAC: ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
Englischer Name: 4-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl ester
Summenformel: C8H10N2O3
Molmasse: 182.18

Namen und Synonyme

ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylateDTXSID90967658RefChem:595431DTXCID501395253992-346-253135-24-367383-32-84-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl esterethyl 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylateethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylateMFCD00223606ethyl 4-hydroxy-2-methyl-5-pyrimidinecarboxylate

Weitere Namen anzeigen

3-Oxetanol,7-ethynyl-4-Hydroxy-2-methyl-pyrimidine-5-cBenzene,1-(3-bromopropyl)-9-chloro-Ethyl 2-methyl-4-hydroxy-5-pyrimidinecarboxylateEthyl4-hydroxy-2-methylpyrimidine-5-carboxylate,97%Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate?New

AURORA KA-69134-Hydroxy-2-methylpyrimidine-5-carboxylic acidethyl esterMFCD07656562NSC1608743-Hydroxy-2-methylpyrimidine-5-carboxylicMaybridge3_007585ethyl 4-hydroxy-2-methyl-pyrimidine-5-carboxylateSCHEMBL959574

Datenbank-Bezeichner

CAS: 53135-24-3、67383-32-8
PubChem CID: 293750
DTXSID: DTXSID90967658
EC Number: 675-654-9、992-346-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 67,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 305

Physikochemische Eigenschaften

Schmelzpunkt: 191 · 191-194°C
Dichte: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: 8.11 · 8.11±0.50(Predicted)
CAS Datenbank: 53135 · 53135-24-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]