2,5-Dimethyl-1,3-oxazole-4-carboxylic acid

HCID 2795465CAS 23000-14-8

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Grundinformationen

Standard-SMILES: Cc1nc(C(=O)O)c(C)o1
InChIKey: LHGRUGVXZLHYKE-UHFFFAOYSA-N
Summenformel: C6H7NO3
Durchschnittliche Molmasse: 141,12 g/mol
Monoisotopische Masse: 141,04259308

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethyl-1,3-oxazole-4-carboxylic acid
IUPAC: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
Englischer Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
Summenformel: C6H7NO3
Molmasse: 141.12

Namen und Synonyme

23000-14-82,5-dimethyl-1,3-oxazole-4-carboxylic acidDTXSID40383687RefChem:444481DTXCID00334711822-871-32,5-Dimethyloxazole-4-carboxylic aciddimethyl-1,3-oxazole-4-carboxylic acid4-Oxazolecarboxylic acid, 2,5-dimethyl-MFCD03011595SCHEMBL287238STK504859

Weitere Namen anzeigen

4-Carboxy-2,5-dimethyl-1,3-oxazole2,5-Dimethyl-1,3-oxazole-4-carboxylicacid97%2,5-Dimethyl-1,3-oxazole-4-carboxylic acid 97%dimethyl-1,3-oxazole-4-carboxylic acid - [D85412]

2,5-Dimethyl-1,3-Oxazole-4-CarboxylicAcid2,5-Dimethyloxazole-4-carboxylicoxazole, 4-carboxy-2,5-dimethyl-SBB0490792,5-Dimethyloxazole-4-carboxylicacidAKOS002307125PS-37242,5-dimethyl-oxazole-4-carboxylic acid

Datenbank-Bezeichner

CAS: 23000-14-8
PubChem CID: 2795465
DTXSID: DTXSID40383687
EC Number: 822-871-3
Nikkaji: J1.811.296E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 148

Physikochemische Eigenschaften

Schmelzpunkt: 232 °C · 232 °C
Siedepunkt: 267.4 · 267.4±20.0 °C(Predicted)
Dichte: 1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.01 · 4.01±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.