(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone

HCID 9859564CAS 23204-70-8

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Grundinformationen

Standard-SMILES: O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIKey: LTENIVFVXMCOQI-UONOGXRCSA-N
Summenformel: C15H13NO2
Durchschnittliche Molmasse: 239,27 g/mol
Monoisotopische Masse: 239,09462866

Namen und Bezeichner

Bevorzugter Name: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
IUPAC: (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one
Englischer Name: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
Summenformel: C15H13NO2
Molmasse: 239.27

Namen und Synonyme

(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinoneRefChem:403480623-654-423204-70-8(4S,5R)-4,5-Diphenyl-1,3-oxazolidin-2-one(4S,5R)-4,5-diphenyloxazolidin-2-one(4S,5R)-4,5-diphenyl-2-oxazolidinoneMFCD00799526(4S,5R)-cis-4,5-Diphenyloxazolidin-2-onecis-4,5-Diphenyl-2-Oxazolidinone(4S,5R)-(-)-cis-Diphenyl-2-oxazolidinone(4S-cis)-4,5-Diphenyl-2-oxazolidinone; (-)-cis-4,5-Diphenyl-2-oxazolidinone; (4S,5R)-4,5-Diphenyloxazolidin-2-one;

Weitere Namen anzeigen

(4S,5R)-45-diphenyloxazolidin-2-one(-)-cis-4,5-Diphenyl-2-oxazolidinone(4S-cis)-4,5-Diphenyl-2-oxazolidinone(4S,5R)-(-)-CIS-4,5-DIPHENYL-2-OXAZOLIDI2-Oxazolidinone, 4,5-diphenyl-, (4S,5R)-(4S,5R)-4,5-Diphenyl-2-oxazolidinone,99%e.e.

19202-66-5rel-(4R*,5S*)-4,5-Diphenyloxazolidine-2-oneSCHEMBL1443275DTXSID70431963LTENIVFVXMCOQI-UONOGXRCSA-N4,5-cis-Diphenyl-2-oxooxazolidineAKOS016842848AS-43482

Datenbank-Bezeichner

CAS: 23204-70-8
PubChem CID: 9859564
DTXSID: DTXSID70431963
EC Number: 623-654-4
Nikkaji: J411.758A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 293

Physikochemische Eigenschaften

Schmelzpunkt: 227 · 227-232 °C(lit.)
Siedepunkt: 466.6 · 466.6±45.0 °C(Predicted)
Dichte: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly)
pka: 11.56 · 11.56±0.60(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: 1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1
InChIKey: LTENIVFVXMCOQI-UONOGXRCSA-N
SMILES: O=C1N[C@H]([C@H](O1)c2ccccc2)c3ccccc3

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 39 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.