Potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate

HCID 24820502

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Grundinformationen

CAS: 888504-28-7
Standard-SMILES: Cc1nnc(C(=O)[O-])o1.[K+]
InChIKey: BRHMYHXNUGVBCU-UHFFFAOYSA-M
Summenformel: C4H3KN2O3
Durchschnittliche Molmasse: 166,18 g/mol
Monoisotopische Masse: 165,97807364

Namen und Bezeichner

Bevorzugter Name: Potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
IUPAC: potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate
Englischer Name: 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
Summenformel: C4H3KN2O3
Molmasse: 166.18

Namen und Synonyme

888504-28-7potassium 5-methyl-1,3,4-oxadiazole-2-carboxylateDTXSID90647544RefChem:373700DTXCID00598295618-215-95-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium saltMFCD080600855-Methyl-1,3,4-oxadiazole-2-carboxylic Acid, Potassium SaltPOTASSIUM 5-METHYL-[1,3,4]OXADIAZOLE-2-CARBOXYLATEpotassium;5-methyl-1,3,4-oxadiazole-2-carboxylateAKOS006285709

Weitere Namen anzeigen

5-Methyl-Raltegravir Oxadiazole Impurity5-Methyl-1,3,4-oxadiazole-2-carboxylate4-oxadiazole-2-carboxylic acid potassium salt5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassiumpotassiuM 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid5-Methyl-1,3,4-oxadiazole-2-carboxylate,potassium saltPotassium salt, 5-methyl-1,3, 4-oxadiazole-2-carboxylate7,8-difluoro-6,11-dihydro-dibenzo [b, e] thieno-11-alcohol

AS-70543F2147-10325-Methyl-[1,3,4]oxadiazole-2-carboxylic acid, potassium salt1,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-, potassium salt (1:1); 1,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-, potassium salt (9CI); 5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium; 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt; Potassium 5-methyl-1,3,4-oxadiazole-2-carboxylatepotassium 5-methyl-Raltegravir Impurity 3FT-06719401,3,4-OXADIAZOLE-2-CARBOXYLIC ACID, 5-METHYL-, POTASSIUM SALT

Datenbank-Bezeichner

CAS: 888504-28-7
PubChem CID: 24820502
DTXSID: DTXSID90647544
UNII: JQQ7289UK3
EC Number: 618-215-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 79,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Schmelzpunkt: 258.3 °C · 258.3 °C (decomp)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Water
Aggregatzustand: Solid
Farbe: Off-White
InChI: InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKey: BRHMYHXNUGVBCU-UHFFFAOYSA-M
SMILES: C1(C(=O)[O-])OC(C)=NN=1.[K+]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.