5-methyl-1,3-oxazole-4-carboxylic Acid

HCID 11355484

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Grundinformationen

CAS: 103879-58-9
Standard-SMILES: Cc1ocnc1C(=O)O
InChIKey: QIACATCUODRSLS-UHFFFAOYSA-N
Summenformel: C5H5NO3
Durchschnittliche Molmasse: 127,1 g/mol
Monoisotopische Masse: 127,02694302

Namen und Bezeichner

Bevorzugter Name: 5-methyl-1,3-oxazole-4-carboxylic Acid
IUPAC: 5-methyl-1,3-oxazole-4-carboxylic acid
Englischer Name: 5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
Summenformel: C5H5NO3
Molmasse: 127.1

Namen und Synonyme

103879-58-95-methyl-1,3-oxazole-4-carboxylic AcidDTXSID50463242RefChem:303911DTXCID40414061805-950-75-methyloxazole-4-carboxylic acidMFCD080563094-Oxazolecarboxylic acid, 5-methyl-5-methyl-4-oxazolecarboxylic acidSCHEMBL4397215-Methyl-oxazole-4-carboxylic acid

Weitere Namen anzeigen

5-Methyl-oxazol-4-carboxylic acid4-Carboxy-5-methyl-1,3-oxazole5-Methyl-1,3-oxazole-4-carboxylicacid98%5-methyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)

QIACATCUODRSLS-UHFFFAOYSA-NALBB-022765SBB053173AKOS001836446DS-0303PS-5718SY015419DB-032179

Datenbank-Bezeichner

CAS: 103879-58-9
PubChem CID: 11355484
DTXSID: DTXSID50463242
EC Number: 805-950-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 125

Physikochemische Eigenschaften

Siedepunkt: 274 ℃ · 274℃
Dichte: 1.348 · 1.348
Flammpunkt: 120 ℃ · 120℃
storage temp.: 2 · 2-8°C
pka: 3.06 · 3.06±0.31(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): 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.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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.