(4R)-4-phenyl-1,3-oxazolidin-2-one

HCID 730425CAS 90319-52-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C1N[C@H](c2ccccc2)CO1
InChIKey: QDMNNMIOWVJVLY-QMMMGPOBSA-N
Summenformel: C9H9NO2
Durchschnittliche Molmasse: 163,17 g/mol
Monoisotopische Masse: 163,06332853

Namen und Bezeichner

Bevorzugter Name: (4R)-4-phenyl-1,3-oxazolidin-2-one
IUPAC: (4R)-4-phenyl-1,3-oxazolidin-2-one
Englischer Name: (R)-(-)-4-Phenyl-2-oxazolidinone
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

(4R)-4-phenyl-1,3-oxazolidin-2-one(-)-4-Phenyl-2-oxazolidinoneRefChem:403276618-527-590319-52-1(R)-(-)-4-Phenyl-2-oxazolidinone(R)-4-phenyloxazolidin-2-one(R)-4-PHENYL-2-OXAZOLIDINONEMFCD001923932-Oxazolidinone, 4-phenyl-, (4R)-(4R)-4-phenyloxazolidin-2-oneDTXSID50352627

Weitere Namen anzeigen

(R)-(+)-4-PHENYL-2-OXAZOLIDINONEEzetimibe Impurity 63(R)-PH-OXAZOLIDINONE(R)-(-)-4-Phenyl-2-oElagolix Impurity 22Ezetimibe Impuriry 63-4-PHENYL-2-OXAZOLIDINONE(4R)-PHENYL-2-OXAZOLIDINONE

4-Phenyl-2-oxazolidinone, (4R)-(4R)-(-)-4-phenyl-2-oxazolidinone(4R)-4-phenyl-1,3-oxazolan-2-oneA1IGLP1307(4r)-4-phenyl-2-oxazolidinone(R)-(-)-4-phenyloxazolidin-2-oneD5L96WN6JQ

Datenbank-Bezeichner

CAS: 90319-52-1
PubChem CID: 730425
DTXSID: DTXSID50352627
UNII: D5L96WN6JQ
EC Number: 618-527-5
Nikkaji: J462.968J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 °C(lit.)
Siedepunkt: 290.25 °C · 290.25°C (rough estimate)
Dichte: 1.2021 · 1.2021 (rough estimate)
Brechungsindex: -72 ° · -72 ° (C=1, AcOEt)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
pka: 12.05 · 12.05±0.40(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
BRN: 4308995 · 4308995
InChI: InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m0/s1
InChIKey: QDMNNMIOWVJVLY-QMMMGPOBSA-N
SMILES: O1C[C@@H](C2=CC=CC=C2)NC1=O
CAS Datenbank: 90319 · 90319-52-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.