2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid

HCID 2775651

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Grundinformationen

CAS: 18955-88-9
Standard-SMILES: Cc1nc(C(=O)O)c(C(F)(F)F)o1
InChIKey: CPJRDBNLRNFKFI-UHFFFAOYSA-N
Summenformel: C6H4F3NO3
Durchschnittliche Molmasse: 195,1 g/mol
Monoisotopische Masse: 195,01432748

Namen und Bezeichner

Bevorzugter Name: 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic Acid
IUPAC: 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
Englischer Name: 2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
Summenformel: C6H4F3NO3
Molmasse: 195.1

Namen und Synonyme

18955-88-92-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic AcidDTXSID30379635RefChem:263517DTXCID90330661671-244-92-Methyl-5-(trifluoromethyl)oxazole-4-carboxylic acidMFCD019413184-Carboxy-2-methyl-5-(trifluoromethyl)-1,3-oxazoleSCHEMBL5692072-methyl-5-trifluoromethyloxazole-4-carboxylic acid4-Oxazolecarboxylicacid, 2-methyl-5-(trifluoromethyl)-

Weitere Namen anzeigen

2-(3-methoxyphenyl)propanedialN-(3-Methoxy-phenyl)-malonamicacidethylester4-Oxazolecarboxylic acid, 2-methyl-5-(trifluoromethyl)-2-Methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid 95+%

SBB053180AKOS006230217AT29267PS-6696CS-0316382ST509496262-methyl-5-trifluoromethyl-4-oxazolecarboxylic acid2-methyl-5(trifluoromethyl)-oxazole-4-carboxylic acid

Datenbank-Bezeichner

CAS: 18955-88-9
PubChem CID: 2775651
DTXSID: DTXSID30379635
EC Number: 671-244-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 63,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-64
Siedepunkt: 254.2 · 254.2±40.0 °C(Predicted)
Dichte: 1.526 · 1.526±0.06 g/cm3(Predicted)
pka: 2.51 · 2.51±0.36(Predicted)
Aggregatzustand: solid
Farbe: White

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)

Aggregated GHS information provided per 2 reports by companies from 2 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.